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

Systemtic Name: tert-butyl 4-[8-(dimethylamino)-2,9-dimethyl-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[8-(dimethylamino)-2,9-dimethyl-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[8-(dimethylamino)-2,9-dimethyl-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[8-(dimethylamino)-2,9-dimethyl-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[8-(dimethylamino)-2,9-dimethyl-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H31N7O2 MolecularWeight: 377.48444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N7O2/c1-13-19-15-14(20-16(21(5)6)22(15)7)12-25(13)24-10-8-23(9-11-24)17(26)27-18(2,3)4/h8-12H2,1-7H3