[[(2R,3S,4R,5R)-5-[(4R)-3-aminocarbonyl-4-pyrazol-1-yl-4H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-[(4R)-3-aminocarbonyl-4-pyrazol-1-yl-4H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[(4R)-3-carbamoyl-4-pyrazol-1-yl-4H-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[(4R)-3-carbamoyl-4-(1-pyrazolyl)-4H-pyridin-1-yl]-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-[(4R)-3-carbamoyl-4-pyrazol-1-yl-4H-pyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[(4R)-3-carbamoyl-4-pyrazol-1-yl-4H-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C24H31N9O14P2 MolecularWeight: 731.502362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O

Isomeric SMILES

C1=CN(N=C1)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O

InChI

InChI=1S/C24H31N9O14P2/c25-20-15-22(28-9-27-20)32(10-29-15)24-19(37)17(35)14(46-24)8-44-49(41,42)47-48(39,40)43-7-13-16(34)18(36)23(45-13)31-5-2-12(11(6-31)21(26)38)33-4-1-3-30-33/h1-6,9-10,12-14,16-19,23-24,34-37H,7-8H2,(H2,26,38)(H,39,40)(H,41,42)(H2,25,27,28)/t12-,13-,14-,16-,17-,18-,19-,23-,24-/m1/s1