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

Systemtic Name: 5-[[4-butyl-1-(2-ethoxyethyl)-2-methyl-6-oxidanylidene-pyrimidin-5-yl]methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[[4-butyl-1-(2-ethoxyethyl)-2-methyl-6-oxo-pyrimidin-5-yl]methyl]-2-phenyl-benzonitrile CAS Name: 5-[[4-butyl-1-(2-ethoxyethyl)-2-methyl-6-oxo-5-pyrimidinyl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[[4-butyl-1-(2-ethoxyethyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]-2-phenylbenzonitrile Traditional Name: 5-[[4-butyl-1-(2-ethoxyethyl)-6-keto-2-methyl-pyrimidin-5-yl]methyl]-2-phenyl-benzonitrile Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2/c1-4-6-12-26-25(27(31)30(20(3)29-26)15-16-32-5-2)18-21-13-14-24(23(17-21)19-28)22-10-8-7-9-11-22/h7-11,13-14,17H,4-6,12,15-16,18H2,1-3H3