tert-butyl 4-(9-methyl-8-methylsulfanyl-6H-purin-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(9-methyl-8-methylsulfanyl-6H-purin-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(9-methyl-8-methylsulfanyl-6H-purin-1-yl)piperazine-1-carboxylate CAS Name: 4-[9-methyl-8-(methylthio)-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(9-methyl-8-methylsulfanyl-6H-purin-1-yl)piperazine-1-carboxylate Traditional Name: 4-[9-methyl-8-(methylthio)-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H26N6O2S MolecularWeight: 366.48164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2)N(C(=N3)SC)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2)N(C(=N3)SC)C

InChI

InChI=1S/C16H26N6O2S/c1-16(2,3)24-15(23)20-6-8-21(9-7-20)22-10-12-13(17-11-22)19(4)14(18-12)25-5/h11H,6-10H2,1-5H3