N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[(3-aminophenyl)amino]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[2-(3-aminoanilino)-4-pyrimidinyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(3-aminoanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)N

InChI

InChI=1S/C21H17N5OS/c22-15-3-1-4-17(13-15)25-21-23-11-10-18(26-21)14-6-8-16(9-7-14)24-20(27)19-5-2-12-28-19/h1-13H,22H2,(H,24,27)(H,23,25,26)