5-chloranyl-2-methylsulfanyl-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[3-(pyrrolidine-1-carbonyl)benzyl]pyrimidine-4-carboxamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S/c1-26-18-21-11-14(19)15(22-18)16(24)20-10-12-5-4-6-13(9-12)17(25)23-7-2-3-8-23/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,24)