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

Systemtic Name: 3-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(2-diethylaminoethyl)benzamide Openeye Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(2-diethylaminoethyl)benzamide CAS Name: 3-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(2-diethylaminoethyl)benzamide IUPAC Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-N-(2-diethylaminoethyl)benzamide Traditional Name: 3-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-N-(2-diethylaminoethyl)benzamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=CC=C1)CC2=CC3=C(C=C2)SC(=C3C)C4=NC(=NC=C4)N

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=CC=C1)CC2=CC3=C(C=C2)SC(=C3C)C4=NC(=NC=C4)N

InChI

InChI=1S/C27H31N5OS/c1-4-32(5-2)14-13-29-26(33)21-8-6-7-19(16-21)15-20-9-10-24-22(17-20)18(3)25(34-24)23-11-12-30-27(28)31-23/h6-12,16-17H,4-5,13-15H2,1-3H3,(H,29,33)(H2,28,30,31)