2-azanyl-7-[(5-phosphonatooxolan-2-yl)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[(5-phosphonatooxolan-2-yl)methyl]-3H-purin-6-one Openeye Name: 2-amino-7-[(5-phosphonatotetrahydrofuran-2-yl)methyl]-3H-purin-6-one CAS Name: 2-amino-7-[(5-phosphonato-2-oxolanyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[(5-phosphonatooxolan-2-yl)methyl]-3H-purin-6-one Traditional Name: 2-amino-7-[(5-phosphonatotetrahydrofuran-2-yl)methyl]-3H-purin-6-one Formula: C10H12N5O5P-2 MolecularWeight: 313.206541

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CN2C=NC3=C2C(=O)N=C(N3)N)P(=O)([O-])[O-]

Isomeric SMILES

C1CC(OC1CN2C=NC3=C2C(=O)N=C(N3)N)P(=O)([O-])[O-]

InChI

InChI=1S/C10H14N5O5P/c11-10-13-8-7(9(16)14-10)15(4-12-8)3-5-1-2-6(20-5)21(17,18)19/h4-6H,1-3H2,(H2,17,18,19)(H3,11,13,14,16)/p-2