[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [3-[[4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]amino]-3-oxidanylidene-propyl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [3-[[4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]amino]-3-oxidanylidene-propyl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3-[4-(5-methoxy-1,3-dioxo-isoindolin-2-yl)-3-methyl-anilino]-3-oxo-propyl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [3-[4-(5-methoxy-1,3-dioxo-2-isoindolyl)-3-methylanilino]-3-oxopropyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-[4-(5-methoxy-1,3-dioxoisoindol-2-yl)-3-methylanilino]-3-oxopropyl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [3-[4-(1,3-diketo-5-methoxy-isoindolin-2-yl)-3-methyl-anilino]-3-keto-propyl] hydrogen phosphate Formula: C29H31N7O15P2 MolecularWeight: 779.541862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCOP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)N5C(=O)C6=C(C5=O)C=C(C=C6)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCOP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)N5C(=O)C6=C(C5=O)C=C(C=C6)OC

InChI

InChI=1S/C29H31N7O15P2/c1-13-9-14(3-6-18(13)36-26(41)16-5-4-15(47-2)10-17(16)27(36)42)32-20(37)7-8-48-52(43,44)51-53(45,46)49-11-19-22(38)23(39)28(50-19)35-12-31-21-24(35)33-29(30)34-25(21)40/h3-6,9-10,12,19,22-23,28,38-39H,7-8,11H2,1-2H3,(H,32,37)(H,43,44)(H,45,46)(H3,30,33,34,40)/t19-,22-,23-,28-/m1/s1