2-(5-cyano-6-oxidanylidene-2-propan-2-yl-4-propan-2-ylsulfanyl-pyrimidin-1-yl)ethanoic acid

Systemtic Name: 2-(5-cyano-6-oxidanylidene-2-propan-2-yl-4-propan-2-ylsulfanyl-pyrimidin-1-yl)ethanoic acid Openeye Name: 2-(5-cyano-2-isopropyl-4-isopropylsulfanyl-6-oxo-pyrimidin-1-yl)acetic acid CAS Name: 2-[5-cyano-6-oxo-2-propan-2-yl-4-(propan-2-ylthio)-1-pyrimidinyl]acetic acid IUPAC Name: 2-(5-cyano-6-oxo-2-propan-2-yl-4-propan-2-ylsulfanylpyrimidin-1-yl)acetic acid Traditional Name: 2-[5-cyano-2-isopropyl-4-(isopropylthio)-6-keto-pyrimidin-1-yl]acetic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C(=O)N1CC(=O)O)C#N)SC(C)C

Isomeric SMILES

CC(C)C1=NC(=C(C(=O)N1CC(=O)O)C#N)SC(C)C

InChI

InChI=1S/C13H17N3O3S/c1-7(2)11-15-12(20-8(3)4)9(5-14)13(19)16(11)6-10(17)18/h7-8H,6H2,1-4H3,(H,17,18)