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

Systemtic Name: tert-butyl 4-[2-methoxy-9-(methylsulfanylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-methoxy-9-(methylsulfanylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate CAS Name: 4-[2-methoxy-9-[(methylthio)methyl]-6H-purin-1-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-methoxy-9-(methylsulfanylmethyl)-6H-purin-1-yl]piperazine-1-carboxylate Traditional Name: 4-[2-methoxy-9-[(methylthio)methyl]-6H-purin-1-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H28N6O3S MolecularWeight: 396.50762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2OC)N(C=N3)CSC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N2CC3=C(N=C2OC)N(C=N3)CSC

InChI

InChI=1S/C17H28N6O3S/c1-17(2,3)26-16(24)20-6-8-22(9-7-20)23-10-13-14(19-15(23)25-4)21(11-18-13)12-27-5/h11H,6-10,12H2,1-5H3