6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-oxidanyl-phenyl]-N-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-oxidanyl-phenyl]-N-methyl-1-benzothiophene-2-carboxamide Openeye Name: 6-[5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methyl-benzothiophene-2-carboxamide CAS Name: 6-[5-[(2-amino-4-pyrimidinyl)amino]-2-hydroxyphenyl]-N-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 6-[5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl]-N-methyl-1-benzothiophene-2-carboxamide Traditional Name: 6-[5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methyl-benzothiophene-2-carboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(S1)C=C(C=C2)C3=C(C=CC(=C3)NC4=NC(=NC=C4)N)O

Isomeric SMILES

CNC(=O)C1=CC2=C(S1)C=C(C=C2)C3=C(C=CC(=C3)NC4=NC(=NC=C4)N)O

InChI

InChI=1S/C20H17N5O2S/c1-22-19(27)17-9-12-3-2-11(8-16(12)28-17)14-10-13(4-5-15(14)26)24-18-6-7-23-20(21)25-18/h2-10,26H,1H3,(H,22,27)(H3,21,23,24,25)