N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(2-pyrimidylthio)acetamide Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=NC=CC=N4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=NC=CC=N4)OC)OC)OC

InChI

InChI=1S/C26H26N4O5S/c1-32-21-11-16-6-9-27-20(18(16)13-23(21)34-3)10-17-12-22(33-2)24(35-4)14-19(17)30-25(31)15-36-26-28-7-5-8-29-26/h5-9,11-14H,10,15H2,1-4H3,(H,30,31)