2,6-ditert-butyl-4-(6-phenethyloxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-(6-phenethyloxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(6-phenethyloxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(6-phenethyloxy-3,7-dihydropurin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(6-phenethyloxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(6-phenethyloxy-3,7-dihydropurin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2NC3=C(C(=N2)OCCC4=CC=CC=C4)NC=N3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2NC3=C(C(=N2)OCCC4=CC=CC=C4)NC=N3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C27H32N4O2/c1-26(2,3)19-14-18(15-20(22(19)32)27(4,5)6)23-30-24-21(28-16-29-24)25(31-23)33-13-12-17-10-8-7-9-11-17/h7-11,14-16,30H,12-13H2,1-6H3,(H,28,29)