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

Systemtic Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 4-[[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethyl-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 4-[[4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: N-ethyl-4-[[[4-ethyl-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3S/c1-6-22-17-25(31(3)15-14-19-10-13-23(33-4)24(16-19)34-5)30-27(29-22)35-18-20-8-11-21(12-9-20)26(32)28-7-2/h8-13,16-17H,6-7,14-15,18H2,1-5H3,(H,28,32)