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

Systemtic Name: tert-butyl 4-[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(2-chlorophenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-(2-chlorophenyl)-2,6-diketo-3-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN6O4 MolecularWeight: 460.914

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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)NC(=O)N3C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H25ClN6O4/c1-21(2,3)32-20(31)27-11-9-26(10-12-27)18-23-16-15(17(29)24-19(30)25(16)4)28(18)14-8-6-5-7-13(14)22/h5-8H,9-12H2,1-4H3,(H,24,29,30)