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

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]pyrimidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-pyrimidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-(methylthio)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)NC2CCN(C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2CCN(C2)CC3=CC=CC=C3)Cl

InChI

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