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

Systemtic Name: tert-butyl 4-[7-(2-ethenylphenyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1,3-dimethyl-2,6-dioxo-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-ethenylphenyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-ethenylphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-1,3-dimethyl-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O4/c1-7-16-10-8-9-11-17(16)30-18-19(26(5)22(32)27(6)20(18)31)25-21(30)28-12-14-29(15-13-28)23(33)34-24(2,3)4/h7-11H,1,12-15H2,2-6H3