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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O3S/c1-5(9(12)15)4-18-10-8(11(16)17)6(2)13-7(3)14-10/h5H,4H2,1-3H3,(H2,12,15)(H,16,17)