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

Systemtic Name: 2-[4-[(2-azanyl-6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-amino-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-amino-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-amino-6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-amino-6-butyl-4-keto-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)N)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)N)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H22N4O/c1-2-3-8-20-19(21(27)26-22(24)25-20)13-15-9-11-16(12-10-15)18-7-5-4-6-17(18)14-23/h4-7,9-12H,2-3,8,13H2,1H3,(H3,24,25,26,27)