2-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl 3-methylbenzoate

Systemtic Name: 2-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl 3-methylbenzoate Openeye Name: 2-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]ethyl ester IUPAC Name: 2-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCC2=C(NC(=NC2=O)SC)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCC2=C(NC(=NC2=O)SC)C

InChI

InChI=1S/C16H18N2O3S/c1-10-5-4-6-12(9-10)15(20)21-8-7-13-11(2)17-16(22-3)18-14(13)19/h4-6,9H,7-8H2,1-3H3,(H,17,18,19)