N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[(4-anilino-6-methyl-2-pyrimidinyl)amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N5OS/c1-15-14-20(24-16-6-3-2-4-7-16)27-22(23-15)26-18-11-9-17(10-12-18)25-21(28)19-8-5-13-29-19/h2-14H,1H3,(H,25,28)(H2,23,24,26,27)