[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)CO)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)CO)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O5/c17-13-6-7-19(16(22)18-13)14-8-11(12(9-20)23-14)24-15(21)10-4-2-1-3-5-10/h1-7,11-12,14,20H,8-9H2,(H2,17,18,22)