tert-butyl 4-[7-(2-methanoylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(2-methanoylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(2-formylphenyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-formylphenyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-formylphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(2-formylphenyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28N6O5 MolecularWeight: 468.50562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4C=O)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4C=O)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H28N6O5/c1-23(2,3)34-22(33)28-12-10-27(11-13-28)20-24-18-17(19(31)26(5)21(32)25(18)4)29(20)16-9-7-6-8-15(16)14-30/h6-9,14H,10-13H2,1-5H3