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t-Butyl 5-amino-4-(benzyllthio)-2-[(t-butoxycarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID HyKcejCdeQH
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
InChIKey UZQHGDSEYGPJCJ-UHFFFAOYSA-N
Mol Weight 519.69 g/mol
Molecular Formula C24H29N3O4S3
Exact Mass 519.13202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MqF6I5KmAN
Name t-Butyl 5-amino-4-(benzyllthio)-2-[(t-butoxycarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylate
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Formula C24H29N3O4S3
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
InChIKey UZQHGDSEYGPJCJ-UHFFFAOYSA-N
Molecular Weight 519.693 g/mol
SMILES Nc1c(sc2nc(SCC(OC(C)(C)C)=O)nc(c12)SCc1ccccc1)C(OC(C)(C)C)=O
SPLASH splash10-0cdi-0000940000-53ce5378c50da2248fd6
Source of Spectrum AJ-42-844-6
Synonyms 5-Amino-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester tert-Butyl 5-amino-4-benzylsulfanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidine-6-carboxylate tert-Butyl 5-amino-4-benzylsulfanyl-2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate tert-Butyl 5-azanyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID 1568034