5-chloranyl-2-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(2-phenyl-2-pyrrolidino-ethyl)pyrimidine-4-carboxamide Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4OS/c1-25-18-21-11-14(19)16(22-18)17(24)20-12-15(23-9-5-6-10-23)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,24)