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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

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