tert-butyl 5-azanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-pyrrolidin-1-yl-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-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: tert-butyl 5-amino-2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-[(2-tert-butoxy-2-keto-ethyl)thio]-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)OC(C)(C)C)N)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)OC(C)(C)C)N)N3CCCC3

InChI

InChI=1S/C21H30N4O4S2/c1-20(2,3)28-12(26)11-30-19-23-16(25-9-7-8-10-25)13-14(22)15(31-17(13)24-19)18(27)29-21(4,5)6/h7-11,22H2,1-6H3