N-(2-methylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(o-tolyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2-methylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(o-tolyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C17H20N4OS/c1-13-6-2-3-7-14(13)20-16(22)11-23-17-10-15(18-12-19-17)21-8-4-5-9-21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,20,22)