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

Systemtic Name: tert-butyl 1,3-dimethyl-2,6-bis(oxidanylidene)-8-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate Openeye Name: tert-butyl 1,3-dimethyl-2,6-dioxo-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate CAS Name: 1,3-dimethyl-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-dimethyl-2,6-dioxo-8-(4-oxocyclohexa-2,5-dien-1-ylidene)-9H-purine-7-carboxylate Traditional Name: 2,6-diketo-8-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,3-dimethyl-9H-purine-7-carboxylic acid tert-butyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(NC1=C3C=CC(=O)C=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(NC1=C3C=CC(=O)C=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O5/c1-18(2,3)27-17(26)22-12-14(20(4)16(25)21(5)15(12)24)19-13(22)10-6-8-11(23)9-7-10/h6-9,19H,1-5H3