tert-butyl 4-[2-chloranyl-7-(2-chlorophenyl)-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-chloranyl-7-(2-chlorophenyl)-1-methyl-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-7-(2-chlorophenyl)-1-methyl-6-oxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-7-(2-chlorophenyl)-1-methyl-6-oxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-7-(2-chlorophenyl)-1-methyl-6-oxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-7-(2-chlorophenyl)-6-keto-1-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24Cl2N6O3 MolecularWeight: 479.35966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=N3)Cl)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)N(C(=N3)Cl)C

InChI

InChI=1S/C21H24Cl2N6O3/c1-21(2,3)32-20(31)28-11-9-27(10-12-28)19-25-16-15(17(30)26(4)18(23)24-16)29(19)14-8-6-5-7-13(14)22/h5-8H,9-12H2,1-4H3