2-azanyl-9-[[3,4-bis(oxidanyl)-5-phosphonato-oxolan-2-yl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[3,4-bis(oxidanyl)-5-phosphonato-oxolan-2-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3,4-dihydroxy-5-phosphonato-tetrahydrofuran-2-yl)methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(3,4-dihydroxy-5-phosphonato-2-oxolanyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3,4-dihydroxy-5-phosphonatooxolan-2-yl)methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3,4-dihydroxy-5-phosphonato-tetrahydrofuran-2-yl)methyl]-3H-purin-6-one Formula: C10H12N5O7P-2 MolecularWeight: 345.205341

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC3C(C(C(O3)P(=O)([O-])[O-])O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC3C(C(C(O3)P(=O)([O-])[O-])O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14N5O7P/c11-10-13-7-4(8(18)14-10)12-2-15(7)1-3-5(16)6(17)9(22-3)23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2