4-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]but-3-ynyl 4-methylbenzoate

Systemtic Name: 4-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]but-3-ynyl 4-methylbenzoate Openeye Name: 4-(1-methyl-2,4-dioxo-pyrimidin-5-yl)but-3-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-(1-methyl-2,4-dioxo-5-pyrimidinyl)but-3-ynyl ester IUPAC Name: 4-(1-methyl-2,4-dioxopyrimidin-5-yl)but-3-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-(2,4-diketo-1-methyl-pyrimidin-5-yl)but-3-ynyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCC#CC2=CN(C(=O)NC2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCC#CC2=CN(C(=O)NC2=O)C

InChI

InChI=1S/C17H16N2O4/c1-12-6-8-13(9-7-12)16(21)23-10-4-3-5-14-11-19(2)17(22)18-15(14)20/h6-9,11H,4,10H2,1-2H3,(H,18,20,22)