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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(p-tolylmethyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C18H22N4OS/c1-14-4-6-15(7-5-14)11-19-17(23)12-24-18-10-16(20-13-21-18)22-8-2-3-9-22/h4-7,10,13H,2-3,8-9,11-12H2,1H3,(H,19,23)