methyl 2-[(1-methyl-6-oxidanylidene-4-propyl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[(1-methyl-6-oxidanylidene-4-propyl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 2-[(1-methyl-6-oxo-4-propyl-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(1-methyl-6-oxo-4-propyl-2-pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-methyl-6-oxo-4-propylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(6-keto-1-methyl-4-propyl-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CCCC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C17H20N2O3S/c1-4-7-13-10-15(20)19(2)17(18-13)23-11-12-8-5-6-9-14(12)16(21)22-3/h5-6,8-10H,4,7,11H2,1-3H3