methyl 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C(=O)OC

InChI

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