tert-butyl 1,3-diethyl-2,6-bis(oxidanylidene)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate

Systemtic Name: tert-butyl 1,3-diethyl-2,6-bis(oxidanylidene)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate Openeye Name: tert-butyl 1,3-diethyl-2,6-dioxo-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate CAS Name: 1,3-diethyl-2,6-dioxo-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-9H-purine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,3-diethyl-2,6-dioxo-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate Traditional Name: 1,3-diethyl-2,6-diketo-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylic acid tert-butyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=C3C=CC(=O)C=C3)N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=C3C=CC(=O)C=C3)N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H24N4O5/c1-6-22-16-14(17(26)23(7-2)18(22)27)24(19(28)29-20(3,4)5)15(21-16)12-8-10-13(25)11-9-12/h8-11,21H,6-7H2,1-5H3