2-[5-cyano-6-oxidanylidene-4-(phenylmethylsulfanyl)-2-propan-2-yl-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-6-oxidanylidene-4-(phenylmethylsulfanyl)-2-propan-2-yl-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylsulfanyl-5-cyano-2-isopropyl-6-oxo-pyrimidin-1-yl)acetic acid CAS Name: 2-[5-cyano-6-oxo-4-(phenylmethylthio)-2-propan-2-yl-1-pyrimidinyl]acetic acid IUPAC Name: 2-(4-benzylsulfanyl-5-cyano-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetic acid Traditional Name: 2-[4-(benzylthio)-5-cyano-2-isopropyl-6-keto-pyrimidin-1-yl]acetic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C(=O)N1CC(=O)O)C#N)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=C(C(=O)N1CC(=O)O)C#N)SCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-11(2)15-19-16(24-10-12-6-4-3-5-7-12)13(8-18)17(23)20(15)9-14(21)22/h3-7,11H,9-10H2,1-2H3,(H,21,22)