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

Systemtic Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 4-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[[4-ethyl-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-isopropyl-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)NC(C)C)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O3S/c1-7-23-17-26(32(4)15-14-20-10-13-24(34-5)25(16-20)35-6)31-28(30-23)36-18-21-8-11-22(12-9-21)27(33)29-19(2)3/h8-13,16-17,19H,7,14-15,18H2,1-6H3,(H,29,33)