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

Systemtic Name: tert-butyl 4-[2-chloranyl-9-(methylsulfanylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-chloro-9-(methylsulfanylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-9-[(methylthio)methyl]-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-chloro-9-(methylsulfanylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-9-[(methylthio)methyl]-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H25ClN6O2S MolecularWeight: 400.9267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2Cl)N(C=N3)CSC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2Cl)N(C=N3)CSC

InChI

InChI=1S/C16H25ClN6O2S/c1-16(2,3)25-15(24)20-5-7-22(8-6-20)23-9-12-13(19-14(23)17)21(10-18-12)11-26-4/h10H,5-9,11H2,1-4H3