4-[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methyl-pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methyl-pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methyl-pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methyl-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methylpyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-(2,6-diethylphenyl)-5-(dipropylamino)-6-methyl-pyrimidin-4-yl]benzonitrile Formula: C28H34N4 MolecularWeight: 426.59636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(N=C(N=C1C)C2=C(C=CC=C2CC)CC)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCN(CCC)C1=C(N=C(N=C1C)C2=C(C=CC=C2CC)CC)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H34N4/c1-6-17-32(18-7-2)27-20(5)30-28(25-22(8-3)11-10-12-23(25)9-4)31-26(27)24-15-13-21(19-29)14-16-24/h10-16H,6-9,17-18H2,1-5H3