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

Systemtic Name: tert-butyl 4-[7-(2-ethenylphenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-methyl-2,6-dioxo-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-ethenylphenyl)-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-ethenylphenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-(2-vinylphenyl)purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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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)NC(=O)N3C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O4/c1-6-15-9-7-8-10-16(15)29-17-18(26(5)21(31)25-19(17)30)24-20(29)27-11-13-28(14-12-27)22(32)33-23(2,3)4/h6-10H,1,11-14H2,2-5H3,(H,25,30,31)