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

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(4-morpholin-4-ylphenyl)benzamide Openeye Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(4-morpholinophenyl)benzamide CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-[4-(4-morpholinyl)phenyl]benzamide IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(4-morpholin-4-ylphenyl)benzamide Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(4-morpholinophenyl)benzamide Formula: C31H29N5O2S MolecularWeight: 535.65926

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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)N5CCOCC5)C6=NC(=NC=C6)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)N5CCOCC5)C6=NC(=NC=C6)N

InChI

InChI=1S/C31H29N5O2S/c1-20-26-19-22(5-10-28(26)39-29(20)27-11-12-33-31(32)35-27)17-21-3-2-4-23(18-21)30(37)34-24-6-8-25(9-7-24)36-13-15-38-16-14-36/h2-12,18-19H,13-17H2,1H3,(H,34,37)(H2,32,33,35)