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

Systemtic Name: N-[2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-3,4,5-trimethoxy-benzamide CAS Name: N-[2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophen-5-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophen-5-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophen-5-yl]-3,4,5-trimethoxy-benzamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4S/c1-12-15-11-14(5-6-19(15)32-21(12)16-7-8-25-23(24)27-16)26-22(28)13-9-17(29-2)20(31-4)18(10-13)30-3/h5-11H,1-4H3,(H,26,28)(H2,24,25,27)