N-(4-acetamidophenyl)-5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-13-4-3-5-15(10-13)12-29-21-23-11-18(22)19(26-21)20(28)25-17-8-6-16(7-9-17)24-14(2)27/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)