4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-2-methyl-3-oxopropyl)thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-2-methyl-propyl)thio]-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-6(10(14)17)5-20-12-9(13(18)19)7(2)15-11(16-12)8-3-4-8/h6,8H,3-5H2,1-2H3,(H2,14,17)(H,18,19)