[5-[5-[4-(3-azanyl-6,7-dimethyl-1-oxidanylidene-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl] phosphate

Systemtic Name: [5-[5-[4-(3-azanyl-6,7-dimethyl-1-oxidanylidene-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-tris(oxidanyl)pentoxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl [1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl] phosphate Openeye Name: [5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (1-carboxy-4-hydroxy-4-oxo-butyl) phosphate CAS Name: [5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxy-2-oxolanyl]methyl (1,5-dihydroxy-1,5-dioxopentan-2-yl) phosphate IUPAC Name: [5-[5-[4-(3-amino-6,7-dimethyl-1-oxo-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl (1,5-dihydroxy-1,5-dioxopentan-2-yl) phosphate Traditional Name: [5-[5-[4-(3-amino-1-keto-6,7-dimethyl-4,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (1-carboxy-4-hydroxy-4-keto-butyl) phosphate Formula: C31H44N6O16P- MolecularWeight: 787.685421

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(N(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)CC(C(C(COC5C(C(C(O5)COP(=O)([O-])OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C

Isomeric SMILES

CC1C2C(N(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)CC(C(C(COC5C(C(C(O5)COP(=O)([O-])OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C

InChI

InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/p-1