tert-butyl 4-[2-(dimethylamino)purin-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(dimethylamino)purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(dimethylamino)purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-(dimethylamino)-1-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(dimethylamino)purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(dimethylamino)purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H25N7O2 MolecularWeight: 347.4154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2C=C3C(=NC=N3)N=C2N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2C=C3C(=NC=N3)N=C2N(C)C

InChI

InChI=1S/C16H25N7O2/c1-16(2,3)25-15(24)21-6-8-22(9-7-21)23-10-12-13(18-11-17-12)19-14(23)20(4)5/h10-11H,6-9H2,1-5H3