(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-acetyloxybenzoate

Systemtic Name: (2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl 2-acetyloxybenzoate Openeye Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid (2-amino-4-oxo-1H-pteridin-6-yl)methyl ester IUPAC Name: (2-amino-4-oxo-1H-pteridin-6-yl)methyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (2-amino-4-keto-1H-pteridin-6-yl)methyl ester Formula: C16H13N5O5 MolecularWeight: 355.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C16H13N5O5/c1-8(22)26-11-5-3-2-4-10(11)15(24)25-7-9-6-18-13-12(19-9)14(23)21-16(17)20-13/h2-6H,7H2,1H3,(H3,17,18,20,21,23)