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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-3-oxo-propyl)sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-3-oxopropyl)thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-amino-3-oxopropyl)sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-propyl)thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-6(2)10-14-7(3)9(12(17)18)11(15-10)19-5-4-8(13)16/h6H,4-5H2,1-3H3,(H2,13,16)(H,17,18)