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

Systemtic Name: 5-chloranyl-2-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-[4-(dimethylamino)anilino]-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-[4-(dimethylamino)anilino]-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C15H15ClN4O3S MolecularWeight: 366.8226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O3S/c1-20(2)10-5-3-9(4-6-10)18-12(21)8-24-15-17-7-11(16)13(19-15)14(22)23/h3-7H,8H2,1-2H3,(H,18,21)(H,22,23)