4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-2-methyl-3-oxopropyl)thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-2-methyl-propyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C10H13N3O4S MolecularWeight: 271.29292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N3O4S/c1-4(7(11)14)3-18-8-6(9(15)16)5(2)12-10(17)13-8/h4H,3H2,1-2H3,(H2,11,14)(H,15,16)(H,12,13,17)