[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-[7-methyl-2,4,8-tris(oxidanylidene)-1H-pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

Systemtic Name: [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-[7-methyl-2,4,8-tris(oxidanylidene)-1H-pyrimido[4,5-b]quinolin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] hydrogen phosphate Traditional Name: [(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] [2,3,4-trihydroxy-5-(2,4,8-triketo-7-methyl-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] hydrogen phosphate Formula: C27H32N8O16P2 MolecularWeight: 786.534502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(NC(=O)NC3=O)N(C2=CC1=O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O

Isomeric SMILES

CC1=CC2=CC3=C(NC(=O)NC3=O)N(C2=CC1=O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O

InChI

InChI=1S/C27H32N8O16P2/c1-10-2-11-3-12-23(32-27(43)33-25(12)42)34(13(11)4-14(10)36)5-15(37)19(39)16(38)6-48-52(44,45)51-53(46,47)49-7-17-20(40)21(41)26(50-17)35-9-31-18-22(28)29-8-30-24(18)35/h2-4,8-9,15-17,19-21,26,37-41H,5-7H2,1H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,32,33,42,43)