propyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: propyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: propyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanoic acid propyl ester IUPAC Name: propyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionic acid propyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CCCOC(=O)C(C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C17H17N3O3S/c1-3-9-23-16(22)11(2)24-17-19-14(12-7-5-4-6-8-12)13(10-18)15(21)20-17/h4-8,11H,3,9H2,1-2H3,(H,19,20,21)