tert-butyl 2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

Systemtic Name: tert-butyl 2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate CAS Name: 2-(methylthio)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methylsulfanyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate Traditional Name: 2-(methylthio)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)SC

InChI

InChI=1S/C12H17N3O2S/c1-12(2,3)17-11(16)15-6-8-5-13-10(18-4)14-9(8)7-15/h5H,6-7H2,1-4H3