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

Systemtic Name: N-[[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-2,5-dimethoxy-benzamide Openeye Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-2,5-dimethoxy-benzamide CAS Name: N-[[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]methyl]-2,5-dimethoxybenzamide IUPAC Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]methyl]-2,5-dimethoxybenzamide Traditional Name: N-[[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]methyl]-2,5-dimethoxy-benzamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)OC)OC)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)OC)OC)C4=NC(=NC=C4)N

InChI

InChI=1S/C23H22N4O3S/c1-13-16-10-14(4-7-20(16)31-21(13)18-8-9-25-23(24)27-18)12-26-22(28)17-11-15(29-2)5-6-19(17)30-3/h4-11H,12H2,1-3H3,(H,26,28)(H2,24,25,27)