6-(2-azanylpyrimidin-4-yl)oxy-N-(3,4-dimethylphenyl)-1-benzothiophene-3-carboxamide

Systemtic Name: 6-(2-azanylpyrimidin-4-yl)oxy-N-(3,4-dimethylphenyl)-1-benzothiophene-3-carboxamide Openeye Name: 6-(2-aminopyrimidin-4-yl)oxy-N-(3,4-dimethylphenyl)benzothiophene-3-carboxamide CAS Name: 6-[(2-amino-4-pyrimidinyl)oxy]-N-(3,4-dimethylphenyl)-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-aminopyrimidin-4-yl)oxy-N-(3,4-dimethylphenyl)-1-benzothiophene-3-carboxamide Traditional Name: 6-(2-aminopyrimidin-4-yl)oxy-N-(3,4-dimethylphenyl)benzothiophene-3-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CSC3=C2C=CC(=C3)OC4=NC(=NC=C4)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CSC3=C2C=CC(=C3)OC4=NC(=NC=C4)N)C

InChI

InChI=1S/C21H18N4O2S/c1-12-3-4-14(9-13(12)2)24-20(26)17-11-28-18-10-15(5-6-16(17)18)27-19-7-8-23-21(22)25-19/h3-11H,1-2H3,(H,24,26)(H2,22,23,25)