[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [4-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-4-oxidanylidene-butyl] 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] [4-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-4-oxidanylidene-butyl] 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] [4-[(9,10-dioxo-2-anthryl)amino]-4-oxo-butyl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [4-[(9,10-dioxo-2-anthracenyl)amino]-4-oxobutyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [4-[(9,10-dioxoanthracen-2-yl)amino]-4-oxobutyl] 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] [4-[(9,10-diketo-2-anthryl)amino]-4-keto-butyl] hydrogen phosphate Formula: C28H28N6O14P2 MolecularWeight: 734.501242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCCOP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5NC(=NC6=O)N)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCCOP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O

InChI

InChI=1S/C28H28N6O14P2/c29-28-32-25-20(26(40)33-28)30-12-34(25)27-24(39)23(38)18(47-27)11-46-50(43,44)48-49(41,42)45-9-3-6-19(35)31-13-7-8-16-17(10-13)22(37)15-5-2-1-4-14(15)21(16)36/h1-2,4-5,7-8,10,12,18,23-24,27,38-39H,3,6,9,11H2,(H,31,35)(H,41,42)(H,43,44)(H3,29,32,33,40)/t18-,23-,24-,27-/m1/s1