N-(2,3-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-13-6-5-7-15(14(13)2)21-17(23)11-24-18-10-16(19-12-20-18)22-8-3-4-9-22/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,21,23)