2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one CAS Name: 2-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Traditional Name: 7-benzyl-2-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-purin-6-one Formula: C26H30N4O2 MolecularWeight: 430.542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC3=C(C(=O)N2)N(C=N3)CC4=CC=CC=C4)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NC3=C(C(=O)N2)N(C=N3)CC4=CC=CC=C4)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C26H30N4O2/c1-25(2,3)18-12-17(13-19(21(18)31)26(4,5)6)22-28-23-20(24(32)29-22)30(15-27-23)14-16-10-8-7-9-11-16/h7-13,15,28H,14H2,1-6H3,(H,29,32)