5-chloranyl-N-(2,6-dimethylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,6-dimethylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,6-dimethylphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3OS/c1-13-7-6-8-14(2)17(13)23-19(25)18-16(21)11-22-20(24-18)26-12-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,23,25)