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

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(3-morpholinopropyl)benzamide CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(3-morpholinopropyl)benzamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4)C5=NC(=NC=C5)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4)C5=NC(=NC=C5)N

InChI

InChI=1S/C28H31N5O2S/c1-19-23-18-21(6-7-25(23)36-26(19)24-8-10-31-28(29)32-24)16-20-4-2-5-22(17-20)27(34)30-9-3-11-33-12-14-35-15-13-33/h2,4-8,10,17-18H,3,9,11-16H2,1H3,(H,30,34)(H2,29,31,32)