4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-amino-2-oxoethyl)thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-5-8(11(16)17)10(18-4-7(12)15)14-9(13-5)6-2-3-6/h6H,2-4H2,1H3,(H2,12,15)(H,16,17)