[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [3-(1,2-diphenylethylamino)-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-(1,2-diphenylethylamino)-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-(1,2-diphenylethylamino)-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-(1,2-diphenylethylamino)-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-(1,2-diphenylethylamino)-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-(1,2-diphenylethylamino)-3-keto-propyl] hydrogen phosphate Formula: C27H32N6O12P2 MolecularWeight: 694.523502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)CCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)O

InChI

InChI=1S/C27H32N6O12P2/c28-27-31-24-21(25(37)32-27)29-15-33(24)26-23(36)22(35)19(44-26)14-43-47(40,41)45-46(38,39)42-12-11-20(34)30-18(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,15,18-19,22-23,26,35-36H,11-14H2,(H,30,34)(H,38,39)(H,40,41)(H3,28,31,32,37)/t18?,19-,22-,23-,26-/m1/s1