[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-[[4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]amino]-5-oxidanylidene-pentyl] 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] [5-[[4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]amino]-5-oxidanylidene-pentyl] 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] [5-[4-(5-methoxy-1,3-dioxo-isoindolin-2-yl)-3-methyl-anilino]-5-oxo-pentyl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [5-[4-(5-methoxy-1,3-dioxo-2-isoindolyl)-3-methylanilino]-5-oxopentyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-[4-(5-methoxy-1,3-dioxoisoindol-2-yl)-3-methylanilino]-5-oxopentyl] 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] [5-[4-(1,3-diketo-5-methoxy-isoindolin-2-yl)-3-methyl-anilino]-5-keto-pentyl] hydrogen phosphate Formula: C31H35N7O15P2 MolecularWeight: 807.595022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCCOP(=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)CCCCOP(=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/C31H35N7O15P2/c1-15-11-16(6-9-20(15)38-28(43)18-8-7-17(49-2)12-19(18)29(38)44)34-22(39)5-3-4-10-50-54(45,46)53-55(47,48)51-13-21-24(40)25(41)30(52-21)37-14-33-23-26(37)35-31(32)36-27(23)42/h6-9,11-12,14,21,24-25,30,40-41H,3-5,10,13H2,1-2H3,(H,34,39)(H,45,46)(H,47,48)(H3,32,35,36,42)/t21-,24-,25-,30-/m1/s1