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

Systemtic Name: 2,6-ditert-butyl-4-(1-octoxy-7H-purin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-(1-octoxy-7H-purin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-(1-octoxy-7H-purin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-(1-octoxy-7H-purin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-(1-octoxy-7H-purin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCON1C=C2C(=NC1=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N=CN2

Isomeric SMILES

CCCCCCCCON1C=C2C(=NC1=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)N=CN2

InChI

InChI=1S/C27H40N4O2/c1-8-9-10-11-12-13-14-33-31-17-22-24(29-18-28-22)30-25(31)19-15-20(26(2,3)4)23(32)21(16-19)27(5,6)7/h15-18H,8-14H2,1-7H3,(H,28,29,30)