N-(2,5-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-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)C)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

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

InChI

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