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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[(1-phenyl-3-pyrrolidinyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-[(1-phenylpyrrolidin-3-yl)methyl]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)NCC2CCN(C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2CCN(C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H19ClN4OS/c1-24-17-20-10-14(18)15(21-17)16(23)19-9-12-7-8-22(11-12)13-5-3-2-4-6-13/h2-6,10,12H,7-9,11H2,1H3,(H,19,23)