N-(4-acetamidophenyl)-5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-2-benzylsulfanyl-5-chloropyrimidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-2-(benzylthio)-5-chloro-pyrimidine-4-carboxamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

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