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

Systemtic Name: tert-butyl 2,6-bis(oxidanylidene)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-7-carboxylate Openeye Name: tert-butyl 2,6-dioxo-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-7-carboxylate CAS Name: 2,6-dioxo-8-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,3-dipropyl-9H-purine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,6-dioxo-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-7-carboxylate Traditional Name: 2,6-diketo-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dipropyl-9H-purine-7-carboxylic acid tert-butyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=C3C=CC(=O)C=C3)N2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=C3C=CC(=O)C=C3)N2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N4O5/c1-6-12-24-18-16(19(28)25(13-7-2)20(24)29)26(21(30)31-22(3,4)5)17(23-18)14-8-10-15(27)11-9-14/h8-11,23H,6-7,12-13H2,1-5H3