N-(3-acetamidophenyl)-2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophene-5-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-2-(2-azanylpyrimidin-4-yl)-3-methyl-1-benzothiophene-5-carboxamide Openeye Name: N-(3-acetamidophenyl)-2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophene-5-carboxamide CAS Name: N-(3-acetamidophenyl)-2-(2-amino-4-pyrimidinyl)-3-methyl-1-benzothiophene-5-carboxamide IUPAC Name: N-(3-acetamidophenyl)-2-(2-aminopyrimidin-4-yl)-3-methyl-1-benzothiophene-5-carboxamide Traditional Name: N-(3-acetamidophenyl)-2-(2-aminopyrimidin-4-yl)-3-methyl-benzothiophene-5-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C)C4=NC(=NC=C4)N

InChI

InChI=1S/C22H19N5O2S/c1-12-17-10-14(21(29)26-16-5-3-4-15(11-16)25-13(2)28)6-7-19(17)30-20(12)18-8-9-24-22(23)27-18/h3-11H,1-2H3,(H,25,28)(H,26,29)(H2,23,24,27)