[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-5-[3-[[(1R)-6-oxidanyl-2,3-dihydro-1H-inden-1-yl]imino]propyl]-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[7,8-dimethyl-5-[3-[[(1R)-6-oxidanyl-2,3-dihydro-1H-inden-1-yl]imino]propyl]-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[3-[(1R)-6-hydroxyindan-1-yl]iminopropyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-yl]pentyl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[3-[[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]imino]propyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-yl]pentyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[3-[[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]imino]propyl]-7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-yl]pentyl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[3-[(1R)-6-hydroxyindan-1-yl]iminopropyl]-2,4-diketo-7,8-dimethyl-1H-benzo[g]pteridin-10-yl]pentyl] hydrogen phosphate Formula: C39H48N10O16P2 MolecularWeight: 974.803342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=C(N2CCC=NC4CCC5=C4C=C(C=C5)O)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C7N=CN=C8N)O)O)O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=C(N2CCC=N[C@@H]4CCC5=C4C=C(C=C5)O)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C7N=CN=C8N)O)O)O)O)O

InChI

InChI=1S/C39H48N10O16P2/c1-18-10-24-25(11-19(18)2)48(36-30(37(56)46-39(57)45-36)47(24)9-3-8-41-23-7-5-20-4-6-21(50)12-22(20)23)13-26(51)31(53)27(52)14-62-66(58,59)65-67(60,61)63-15-28-32(54)33(55)38(64-28)49-17-44-29-34(40)42-16-43-35(29)49/h4,6,8,10-12,16-17,23,26-28,31-33,38,50-55H,3,5,7,9,13-15H2,1-2H3,(H,58,59)(H,60,61)(H2,40,42,43)(H2,45,46,56,57)/t23-,26+,27-,28-,31+,32-,33-,38-/m1/s1