tert-butyl 4-[2,9-dimethyl-8-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,9-dimethyl-8-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2,9-dimethyl-8-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2,9-dimethyl-8-(methylamino)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,9-dimethyl-8-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2,9-dimethyl-8-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H29N7O2 MolecularWeight: 363.45786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CN1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N2C)NC

Isomeric SMILES

CC1=NC2=C(CN1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N2C)NC

InChI

InChI=1S/C17H29N7O2/c1-12-19-14-13(20-15(18-5)21(14)6)11-24(12)23-9-7-22(8-10-23)16(25)26-17(2,3)4/h7-11H2,1-6H3,(H,18,20)