ethyl 6-methyl-2-(4-phenylazepan-1-yl)pyrimidine-4-carboxylate

Systemtic Name: ethyl 6-methyl-2-(4-phenylazepan-1-yl)pyrimidine-4-carboxylate Openeye Name: ethyl 6-methyl-2-(4-phenylazepan-1-yl)pyrimidine-4-carboxylate CAS Name: 6-methyl-2-(4-phenyl-1-azepanyl)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(4-phenylazepan-1-yl)pyrimidine-4-carboxylate Traditional Name: 6-methyl-2-(4-phenylazepan-1-yl)pyrimidine-4-carboxylic acid ethyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=N1)N2CCCC(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=N1)N2CCCC(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O2/c1-3-25-19(24)18-14-15(2)21-20(22-18)23-12-7-10-17(11-13-23)16-8-5-4-6-9-16/h4-6,8-9,14,17H,3,7,10-13H2,1-2H3