ethyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]ethanoate Openeye Name: ethyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate CAS Name: 2-[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate Traditional Name: 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CNC1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C23H24N6O2/c1-3-31-22(30)14-25-18-9-10-20-19(13-18)26-15-29(20)21-11-12-24-23(28-21)27-16(2)17-7-5-4-6-8-17/h4-13,15-16,25H,3,14H2,1-2H3,(H,24,27,28)