4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-2-ynyl benzoate

Systemtic Name: 4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)but-2-ynyl benzoate Openeye Name: 4-(4-amino-2-oxo-pyrimidin-1-yl)but-2-ynyl benzoate CAS Name: benzoic acid 4-(4-amino-2-oxo-1-pyrimidinyl)but-2-ynyl ester IUPAC Name: 4-(4-amino-2-oxopyrimidin-1-yl)but-2-ynyl benzoate Traditional Name: benzoic acid 4-(4-amino-2-keto-pyrimidin-1-yl)but-2-ynyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC#CCN2C=CC(=NC2=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC#CCN2C=CC(=NC2=O)N

InChI

InChI=1S/C15H13N3O3/c16-13-8-10-18(15(20)17-13)9-4-5-11-21-14(19)12-6-2-1-3-7-12/h1-3,6-8,10H,9,11H2,(H2,16,17,20)