dimethyl 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5,6-dicarboxylate

Systemtic Name: dimethyl 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5,6-dicarboxylate Openeye Name: dimethyl 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5,6-dicarboxylate CAS Name: 1-[2-(1-phenylethylamino)-4-pyrimidinyl]benzimidazole-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5,6-dicarboxylate Traditional Name: 1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazole-5,6-dicarboxylic acid dimethyl ester Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O4/c1-14(15-7-5-4-6-8-15)26-23-24-10-9-20(27-23)28-13-25-18-11-16(21(29)31-2)17(12-19(18)28)22(30)32-3/h4-14H,1-3H3,(H,24,26,27)