N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC=CC=N2)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC=CC=N2)N3CCCC3

InChI

InChI=1S/C17H20N4OS/c1-13-11-14(5-6-15(13)21-9-2-3-10-21)20-16(22)12-23-17-18-7-4-8-19-17/h4-8,11H,2-3,9-10,12H2,1H3,(H,20,22)