6-(4-chlorophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-(2-dimethylaminoethylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-(2-dimethylaminoethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-(2-dimethylaminoethylthio)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C15H15ClN4OS MolecularWeight: 334.8238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

CN(C)CCSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H15ClN4OS/c1-20(2)7-8-22-15-18-13(12(9-17)14(21)19-15)10-3-5-11(16)6-4-10/h3-6H,7-8H2,1-2H3,(H,18,19,21)