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

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propyl)sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propyl)sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-2-methyl-3-oxopropyl)thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-2-methyl-propyl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-6(2)11-15-8(4)9(13(18)19)12(16-11)20-5-7(3)10(14)17/h6-7H,5H2,1-4H3,(H2,14,17)(H,18,19)