2-(azepan-1-yl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(azepan-1-yl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(azepan-1-yl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid CAS Name: 2-(1-azepanyl)-4-methyl-6-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(azepan-1-yl)-4-methyl-6-phenylpyrimidine-5-carboxylic acid Traditional Name: 2-(azepan-1-yl)-4-methyl-6-phenyl-pyrimidine-5-carboxylic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)O)C2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)O)C2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C18H21N3O2/c1-13-15(17(22)23)16(14-9-5-4-6-10-14)20-18(19-13)21-11-7-2-3-8-12-21/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,22,23)