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

Systemtic Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea CAS Name: 1-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-3-prop-2-enylurea IUPAC Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea Formula: C23H23N7O MolecularWeight: 413.47502

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N7O/c1-3-12-25-23(31)28-18-9-10-20-19(14-18)26-15-30(20)21-11-13-24-22(29-21)27-16(2)17-7-5-4-6-8-17/h3-11,13-16H,1,12H2,2H3,(H,24,27,29)(H2,25,28,31)