tert-butyl 5-azanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: tert-butyl 5-azanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 5-amino-4-benzylsulfanyl-2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-4-benzylsulfanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(benzylthio)-2-[(2-tert-butoxy-2-keto-ethyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C24H29N3O4S3 MolecularWeight: 519.69976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OC(C)(C)C)N)C(=N1)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OC(C)(C)C)N)C(=N1)SCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4S3/c1-23(2,3)30-15(28)13-33-22-26-19(32-12-14-10-8-7-9-11-14)16-17(25)18(34-20(16)27-22)21(29)31-24(4,5)6/h7-11H,12-13,25H2,1-6H3