4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-2-ynyl benzoate

Systemtic Name: 4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-2-ynyl benzoate Openeye Name: 4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-ynyl benzoate CAS Name: benzoic acid 4-(5-methyl-2,4-dioxo-1-pyrimidinyl)but-2-ynyl ester IUPAC Name: 4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-ynyl benzoate Traditional Name: benzoic acid 4-(2,4-diketo-5-methyl-pyrimidin-1-yl)but-2-ynyl ester Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC#CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC#CCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O4/c1-12-11-18(16(21)17-14(12)19)9-5-6-10-22-15(20)13-7-3-2-4-8-13/h2-4,7-8,11H,9-10H2,1H3,(H,17,19,21)