2-azanyl-9-[(3-methoxy-5-phosphonato-oxolan-2-yl)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(3-methoxy-5-phosphonato-oxolan-2-yl)methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(3-methoxy-5-phosphonato-tetrahydrofuran-2-yl)methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(3-methoxy-5-phosphonato-2-oxolanyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(3-methoxy-5-phosphonatooxolan-2-yl)methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3-methoxy-5-phosphonato-tetrahydrofuran-2-yl)methyl]-3H-purin-6-one Formula: C11H14N5O6P-2 MolecularWeight: 343.232521

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(OC1CN2C=NC3=C2NC(=NC3=O)N)P(=O)([O-])[O-]

Isomeric SMILES

COC1CC(OC1CN2C=NC3=C2NC(=NC3=O)N)P(=O)([O-])[O-]

InChI

InChI=1S/C11H16N5O6P/c1-21-5-2-7(23(18,19)20)22-6(5)3-16-4-13-8-9(16)14-11(12)15-10(8)17/h4-7H,2-3H2,1H3,(H2,18,19,20)(H3,12,14,15,17)/p-2