[[(2R,3S,5R)-5-[6-azanyl-2-[(4-butylphenyl)amino]purin-9-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,5R)-5-[6-azanyl-2-[(4-butylphenyl)amino]purin-9-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)-9-purinyl]-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C20H29N6O12P3 MolecularWeight: 638.398543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3C4CC(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)N)N=CN3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C20H29N6O12P3/c1-2-3-4-12-5-7-13(8-6-12)23-20-24-18(21)17-19(25-20)26(11-22-17)16-9-14(27)15(36-16)10-35-40(31,32)38-41(33,34)37-39(28,29)30/h5-8,11,14-16,27H,2-4,9-10H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H3,21,23,24,25)/t14-,15+,16+/m0/s1