[[(7S,8R,9aR)-2-azanyl-4-oxidanylidene-7-sulfanyl-6-sulfanylidene-7,8,9a,10-tetrahydro-1H-pyrano[3,2-g]pteridin-8-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(7S,8R,9aR)-2-azanyl-4-oxidanylidene-7-sulfanyl-6-sulfanylidene-7,8,9a,10-tetrahydro-1H-pyrano[3,2-g]pteridin-8-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[(7S,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-thioxo-7,8,9a,10-tetrahydro-1H-pyrano[3,2-g]pteridin-8-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [[(7S,8R,9aR)-2-amino-7-mercapto-4-oxo-6-sulfanylidene-7,8,9a,10-tetrahydro-1H-pyrano[3,2-g]pteridin-8-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [[(7S,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfanylidene-7,8,9a,10-tetrahydro-1H-pyrano[3,2-g]pteridin-8-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [[(7S,8R,9aR)-2-amino-4-keto-7-mercapto-6-thioxo-7,8,9a,10-tetrahydro-1H-pyrano[3,2-g]pteridin-8-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C20H24N10O13P2S2 MolecularWeight: 738.541282

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(=S)C5=NC6=C(NC5O4)NC(=NC6=O)N)S)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@@H](C(=S)C5=NC6=C(N[C@@H]5O4)NC(=NC6=O)N)S)O)O)NC(=NC2=O)N

InChI

InChI=1S/C20H24N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-5,9-11,17-18,31-32,46H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,9-,10-,11+,17-,18-/m1/s1