N-(3,5-dimethoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3)OC

InChI

InChI=1S/C18H22N4O3S/c1-24-14-7-13(8-15(9-14)25-2)21-17(23)11-26-18-10-16(19-12-20-18)22-5-3-4-6-22/h7-10,12H,3-6,11H2,1-2H3,(H,21,23)