5-chloranyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[2-(1-pyrrolidinyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(2-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(2-pyrrolidinophenyl)pyrimidine-4-carboxamide Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2N3CCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=CC=C2N3CCCC3)Cl

InChI

InChI=1S/C16H17ClN4OS/c1-23-16-18-10-11(17)14(20-16)15(22)19-12-6-2-3-7-13(12)21-8-4-5-9-21/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,19,22)