4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(1-amino-1-oxopropan-2-yl)thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(1-amino-1-oxopropan-2-yl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-1-methyl-ethyl)thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SC(C)C(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SC(C)C(=O)N)C(=O)O

InChI

InChI=1S/C12H15N3O3S/c1-5-8(12(17)18)11(19-6(2)9(13)16)15-10(14-5)7-3-4-7/h6-7H,3-4H2,1-2H3,(H2,13,16)(H,17,18)