tert-butyl (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2,6-bis(oxidanylidene)-9H-purine-7-carboxylate

Systemtic Name: tert-butyl (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2,6-bis(oxidanylidene)-9H-purine-7-carboxylate Openeye Name: tert-butyl (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2,6-dioxo-9H-purine-7-carboxylate CAS Name: (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2,6-dioxo-9H-purine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (8Z)-1,3-dibutyl-8-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dioxo-9H-purine-7-carboxylate Traditional Name: (8Z)-1,3-dibutyl-2,6-diketo-8-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylic acid tert-butyl ester Formula: C25H34N4O6 MolecularWeight: 486.56066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=C3C=CC(=O)C(=C3)OC)N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(/C(=C\3/C=CC(=O)C(=C3)OC)/N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H34N4O6/c1-7-9-13-27-21-19(22(31)28(23(27)32)14-10-8-2)29(24(33)35-25(3,4)5)20(26-21)16-11-12-17(30)18(15-16)34-6/h11-12,15,26H,7-10,13-14H2,1-6H3/b20-16-