4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide

Systemtic Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide Openeye Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: 4-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-ethyl-N-methylbenzamide IUPAC Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: N-ethyl-4-[[[4-ethyl-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CC)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N(C)CC)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H36N4O3S/c1-7-23-18-26(32(4)16-15-20-11-14-24(34-5)25(17-20)35-6)30-28(29-23)36-19-21-9-12-22(13-10-21)27(33)31(3)8-2/h9-14,17-18H,7-8,15-16,19H2,1-6H3