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

Systemtic Name: 1-ethyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea Openeye Name: 1-ethyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea CAS Name: 1-ethyl-3-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]urea IUPAC Name: 1-ethyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea Traditional Name: 1-ethyl-3-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]urea Formula: C22H23N7O MolecularWeight: 401.46432

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N7O/c1-3-23-22(30)27-17-9-10-19-18(13-17)25-14-29(19)20-11-12-24-21(28-20)26-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H2,23,27,30)(H,24,26,28)