5-chloranyl-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C15H14ClN3O3S/c1-8-4-3-5-9(2)12(8)18-11(20)7-23-15-17-6-10(16)13(19-15)14(21)22/h3-6H,7H2,1-2H3,(H,18,20)(H,21,22)