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

[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [6-[[4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]amino]-6-oxidanylidene-hexyl] 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] [6-[[4-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-phenyl]amino]-6-oxidanylidene-hexyl] 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] [6-[4-(5-methoxy-1,3-dioxo-isoindolin-2-yl)-3-methyl-anilino]-6-oxo-hexyl] hydrogen phosphate
CAS Name:[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [6-[4-(5-methoxy-1,3-dioxo-2-isoindolyl)-3-methylanilino]-6-oxohexyl] hydrogen phosphate
IUPAC Name:[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [6-[4-(5-methoxy-1,3-dioxoisoindol-2-yl)-3-methylanilino]-6-oxohexyl] 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] [6-[4-(1,3-diketo-5-methoxy-isoindolin-2-yl)-3-methyl-anilino]-6-keto-hexyl] hydrogen phosphate
Formula: C32H37N7O15P2
MolecularWeight: 821.621602
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCCCOP(=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)CCCCCOP(=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/C32H37N7O15P2/c1-16-12-17(7-10-21(16)39-29(44)19-9-8-18(50-2)13-20(19)30(39)45)35-23(40)6-4-3-5-11-51-55(46,47)54-56(48,49)52-14-22-25(41)26(42)31(53-22)38-15-34-24-27(38)36-32(33)37-28(24)43/h7-10,12-13,15,22,25-26,31,41-42H,3-6,11,14H2,1-2H3,(H,35,40)(H,46,47)(H,48,49)(H3,33,36,37,43)/t22-,25-,26-,31-/m1/s1


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