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

Systemtic Name: tert-butyl 4-[9-methyl-2-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[9-methyl-2-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[9-methyl-2-(methylamino)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[9-methyl-2-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[9-methyl-2-(methylamino)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H27N7O2 MolecularWeight: 349.43128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2NC)N(C=N3)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2NC)N(C=N3)C

InChI

InChI=1S/C16H27N7O2/c1-16(2,3)25-15(24)21-6-8-22(9-7-21)23-10-12-13(19-14(23)17-4)20(5)11-18-12/h11H,6-10H2,1-5H3,(H,17,19)