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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-3-oxo-propyl)sulfanyl-2-cyclopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-3-oxopropyl)thio]-2-cyclopropyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-amino-3-oxopropyl)sulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-propyl)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)SCCC(=O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c1-6-9(12(17)18)11(19-5-4-8(13)16)15-10(14-6)7-2-3-7/h7H,2-5H2,1H3,(H2,13,16)(H,17,18)