N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide

Systemtic Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide Openeye Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide CAS Name: N-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-3-butenamide IUPAC Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide Traditional Name: N-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]but-3-enamide Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)CC=C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)CC=C

InChI

InChI=1S/C23H22N6O/c1-3-7-22(30)27-18-10-11-20-19(14-18)25-15-29(20)21-12-13-24-23(28-21)26-16(2)17-8-5-4-6-9-17/h3-6,8-16H,1,7H2,2H3,(H,27,30)(H,24,26,28)