1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea CAS Name: 1-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea Traditional Name: 1-benzyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea Formula: C27H25N7O MolecularWeight: 463.5337

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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)NCC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H25N7O/c1-19(21-10-6-3-7-11-21)31-26-28-15-14-25(33-26)34-18-30-23-16-22(12-13-24(23)34)32-27(35)29-17-20-8-4-2-5-9-20/h2-16,18-19H,17H2,1H3,(H,28,31,33)(H2,29,32,35)