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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-3-oxo-propyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-3-oxopropyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-amino-3-oxopropyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-propyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCCC(=O)N)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCCC(=O)N)C(=O)O)C

InChI

InChI=1S/C11H15N3O3S/c1-3-8-13-6(2)9(11(16)17)10(14-8)18-5-4-7(12)15/h3-5H2,1-2H3,(H2,12,15)(H,16,17)