N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-pyrimidin-2-yl-amino]methyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-(2-pyrimidinyl)amino]methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[[p-anisyl(2-pyrimidyl)amino]methyl]benzothiophene-2-carboxamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)SC(=C3)C(=O)NC4=CC=CC=C4N)C5=NC=CC=N5

InChI

InChI=1S/C28H25N5O2S/c1-35-22-10-7-19(8-11-22)17-33(28-30-13-4-14-31-28)18-20-9-12-25-21(15-20)16-26(36-25)27(34)32-24-6-3-2-5-23(24)29/h2-16H,17-18,29H2,1H3,(H,32,34)