tert-butyl 4-(2-methylsulfanyl-9-propyl-6H-purin-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-methylsulfanyl-9-propyl-6H-purin-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methylsulfanyl-9-propyl-6H-purin-1-yl)piperazine-1-carboxylate CAS Name: 4-[2-(methylthio)-9-propyl-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylsulfanyl-9-propyl-6H-purin-1-yl)piperazine-1-carboxylate Traditional Name: 4-[2-(methylthio)-9-propyl-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H30N6O2S MolecularWeight: 394.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)SC

Isomeric SMILES

CCCN1C=NC2=C1N=C(N(C2)N3CCN(CC3)C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C18H30N6O2S/c1-6-7-22-13-19-14-12-24(16(27-5)20-15(14)22)23-10-8-21(9-11-23)17(25)26-18(2,3)4/h13H,6-12H2,1-5H3