2-[(2,6-dibutyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]-5-phenyl-benzenecarbonitrile

Systemtic Name: 2-[(2,6-dibutyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]-5-phenyl-benzenecarbonitrile Openeye Name: 2-[(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)methyl]-5-phenyl-benzonitrile CAS Name: 2-[(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)methyl]-5-phenylbenzonitrile IUPAC Name: 2-[(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)methyl]-5-phenylbenzonitrile Traditional Name: 2-[(2,6-dibutyl-4-keto-1H-pyrimidin-5-yl)methyl]-5-phenyl-benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=C(C=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=C(C=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H29N3O/c1-3-5-12-24-23(26(30)29-25(28-24)13-6-4-2)17-21-15-14-20(16-22(21)18-27)19-10-8-7-9-11-19/h7-11,14-16H,3-6,12-13,17H2,1-2H3,(H,28,29,30)