methyl 6-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-pyrimidine-4-carboxylate

Systemtic Name: methyl 6-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-pyrimidine-4-carboxylate Openeye Name: methyl 6-butyl-5-[(3-cyano-4-phenyl-phenyl)methyl]-2-methyl-pyrimidine-4-carboxylate CAS Name: 6-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methyl-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-butyl-5-[(3-cyano-4-phenylphenyl)methyl]-2-methylpyrimidine-4-carboxylate Traditional Name: 6-butyl-5-(3-cyano-4-phenyl-benzyl)-2-methyl-pyrimidine-4-carboxylic acid methyl ester Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)OC)C

Isomeric SMILES

CCCCC1=NC(=NC(=C1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C(=O)OC)C

InChI

InChI=1S/C25H25N3O2/c1-4-5-11-23-22(24(25(29)30-3)28-17(2)27-23)15-18-12-13-21(20(14-18)16-26)19-9-7-6-8-10-19/h6-10,12-14H,4-5,11,15H2,1-3H3