(4-aminophenyl) [[[(2R,3S,4R,5R)-5-(2-azanyl-7-methyl-6-oxidanylidene-3,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: (4-aminophenyl) [[[(2R,3S,4R,5R)-5-(2-azanyl-7-methyl-6-oxidanylidene-3,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(4-aminophenoxy)-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(4-aminophenoxy)-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-aminophenoxy)-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-6-keto-7-methyl-3,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(4-aminophenoxy)-hydroxy-phosphoryl] hydrogen phosphate Formula: C17H25N6O14P3 MolecularWeight: 630.333483

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC4=CC=C(C=C4)N)O)O

Isomeric SMILES

CN1CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC4=CC=C(C=C4)N)O)O

InChI

InChI=1S/C17H25N6O14P3/c1-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(34-16)6-33-38(27,28)36-40(31,32)37-39(29,30)35-9-4-2-8(18)3-5-9/h2-5,10,12-13,16,24-25H,6-7,18H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H3,19,20,21,26)/t10-,12-,13-,16-/m1/s1