N-(4-chlorophenyl)-2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4-chlorophenyl)-2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-chlorophenyl)-2-[[2-(cyclopropylamino)-4-pyrimidinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[[2-(cyclopropylamino)pyrimidin-4-yl]methylthio]nicotinamide Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=CC(=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1NC2=NC=CC(=N2)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN5OS/c21-13-3-5-14(6-4-13)24-18(27)17-2-1-10-22-19(17)28-12-16-9-11-23-20(26-16)25-15-7-8-15/h1-6,9-11,15H,7-8,12H2,(H,24,27)(H,23,25,26)