N-(4-aminocarbonylphenyl)-5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: N-(4-aminocarbonylphenyl)-5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(4-carbamoylphenyl)-5-chloro-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-carbamoylphenyl)-5-chloro-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-carbamoylphenyl)-5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(4-carbamoylphenyl)-5-chloro-2-[(4-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)N)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-12-2-4-13(5-3-12)11-28-20-23-10-16(21)17(25-20)19(27)24-15-8-6-14(7-9-15)18(22)26/h2-10H,11H2,1H3,(H2,22,26)(H,24,27)