4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(cyclopentylamino)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC2CCCC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC2CCCC2)C(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-8-12(14(19)20)13(16-9(2)15-8)21-7-11(18)17-10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,17,18)(H,19,20)