4-[[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxo-purin-7-yl]methyl]benzonitrile CAS Name: 4-[[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxo-7-purinyl]methyl]benzonitrile IUPAC Name: 4-[[8-(4-tert-butylphenoxy)-1,3-dimethyl-2,6-dioxopurin-7-yl]methyl]benzonitrile Traditional Name: 4-[[8-(4-tert-butylphenoxy)-2,6-diketo-1,3-dimethyl-purin-7-yl]methyl]benzonitrile Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)C#N)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC=C(C=C4)C#N)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C25H25N5O3/c1-25(2,3)18-10-12-19(13-11-18)33-23-27-21-20(22(31)29(5)24(32)28(21)4)30(23)15-17-8-6-16(14-26)7-9-17/h6-13H,15H2,1-5H3