3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(4-methoxyphenyl)benzamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)OC)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)OC)C5=NC(=NC=C5)N

InChI

InChI=1S/C28H24N4O2S/c1-17-23-16-19(6-11-25(23)35-26(17)24-12-13-30-28(29)32-24)14-18-4-3-5-20(15-18)27(33)31-21-7-9-22(34-2)10-8-21/h3-13,15-16H,14H2,1-2H3,(H,31,33)(H2,29,30,32)