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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(4-pyrrolidinobenzyl)pyrimidine-4-carboxamide Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C17H19ClN4OS/c1-24-17-20-11-14(18)15(21-17)16(23)19-10-12-4-6-13(7-5-12)22-8-2-3-9-22/h4-7,11H,2-3,8-10H2,1H3,(H,19,23)