ethyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate

Systemtic Name: ethyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate Openeye Name: ethyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate CAS Name: 3-[1-[[4-(1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoate Traditional Name: 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid ethyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)C(C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)C(C)NC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H21N5O2/c1-3-29-21(28)17-8-6-7-16(13-17)15(2)25-22-23-12-11-20(26-22)27-14-24-18-9-4-5-10-19(18)27/h4-15H,3H2,1-2H3,(H,23,25,26)