2-[(4-butoxyphenyl)amino]-4-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-butoxyphenyl)amino]-4-phenyl-pyrimidine-5-carbonitrile Openeye Name: 2-(4-butoxyanilino)-4-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-(4-butoxyanilino)-4-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-butoxyanilino)-4-phenylpyrimidine-5-carbonitrile Traditional Name: 2-(4-butoxyanilino)-4-phenyl-pyrimidine-5-carbonitrile Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N4O/c1-2-3-13-26-19-11-9-18(10-12-19)24-21-23-15-17(14-22)20(25-21)16-7-5-4-6-8-16/h4-12,15H,2-3,13H2,1H3,(H,23,24,25)