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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC(=C2)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=NC(=C2)N3CCCC3)OC

InChI

InChI=1S/C20H26N4O3S/c1-26-16-6-5-15(11-17(16)27-2)7-8-21-19(25)13-28-20-12-18(22-14-23-20)24-9-3-4-10-24/h5-6,11-12,14H,3-4,7-10,13H2,1-2H3,(H,21,25)