4-[[1-cyclohexyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-cyclohexyl-2,6-bis(oxidanylidene)-3-phenyl-purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(1-cyclohexyl-2,6-dioxo-3-phenyl-purin-7-yl)methyl]benzonitrile CAS Name: 4-[(1-cyclohexyl-2,6-dioxo-3-phenyl-7-purinyl)methyl]benzonitrile IUPAC Name: 4-[(1-cyclohexyl-2,6-dioxo-3-phenylpurin-7-yl)methyl]benzonitrile Traditional Name: 4-[(1-cyclohexyl-2,6-diketo-3-phenyl-purin-7-yl)methyl]benzonitrile Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)C#N)N(C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)C#N)N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2/c26-15-18-11-13-19(14-12-18)16-28-17-27-23-22(28)24(31)30(21-9-5-2-6-10-21)25(32)29(23)20-7-3-1-4-8-20/h1,3-4,7-8,11-14,17,21H,2,5-6,9-10,16H2