propyl 4-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: propyl 4-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: propyl 4-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzoic acid propyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)CC)C#N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)CC)C#N

InChI

InChI=1S/C18H19N3O3S/c1-3-9-24-17(23)13-7-5-12(6-8-13)11-25-18-20-15(4-2)14(10-19)16(22)21-18/h5-8H,3-4,9,11H2,1-2H3,(H,20,21,22)