N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(6-piperidinopyrimidin-4-yl)thio]acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC(=C2)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC(=C2)N3CCCCC3)OC

InChI

InChI=1S/C21H28N4O3S/c1-27-17-7-6-16(12-18(17)28-2)8-9-22-20(26)14-29-21-13-19(23-15-24-21)25-10-4-3-5-11-25/h6-7,12-13,15H,3-5,8-11,14H2,1-2H3,(H,22,26)