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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=CC=CC(=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CCCC)CC2=CC=CC(=C2C#N)C3=CC=CC=C3

InChI

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