N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylazanylpyrimidin-4-yl)benzamide

Systemtic Name: N-[2-(1H-imidazol-5-yl)ethyl]-3-(2-phenylazanylpyrimidin-4-yl)benzamide Openeye Name: 3-(2-anilinopyrimidin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide CAS Name: 3-(2-anilino-4-pyrimidinyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide IUPAC Name: 3-(2-anilinopyrimidin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide Traditional Name: 3-(2-anilinopyrimidin-4-yl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC(=CC=C3)C(=O)NCCC4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC(=CC=C3)C(=O)NCCC4=CN=CN4

InChI

InChI=1S/C22H20N6O/c29-21(24-11-9-19-14-23-15-26-19)17-6-4-5-16(13-17)20-10-12-25-22(28-20)27-18-7-2-1-3-8-18/h1-8,10,12-15H,9,11H2,(H,23,26)(H,24,29)(H,25,27,28)