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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-amino-2-oxoethyl)thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-2-isopropyl-6-methyl-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(C)C)SCC(=O)N)C(=O)O

Isomeric SMILES

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

InChI

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