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Methyl 5-amino-4-(benztlthio)-2-[(methoxycarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID Cm6nYKx1MtD
InChI InChI=1S/C18H17N3O4S3/c1-24-11(22)9-27-18-20-15(26-8-10-6-4-3-5-7-10)12-13(19)14(17(23)25-2)28-16(12)21-18/h3-7H,8-9,19H2,1-2H3
InChIKey LXOTWTSFFFNDHK-UHFFFAOYSA-N
Mol Weight 435.53 g/mol
Molecular Formula C18H17N3O4S3
Exact Mass 435.03812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ipcVvA7KoV
Name Methyl 5-amino-4-(benztlthio)-2-[(methoxycarbonyl)methylthio]-thieno[2,3-d]pyrimidine-6-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H17N3O4S3
InChI InChI=1S/C18H17N3O4S3/c1-24-11(22)9-27-18-20-15(26-8-10-6-4-3-5-7-10)12-13(19)14(17(23)25-2)28-16(12)21-18/h3-7H,8-9,19H2,1-2H3
InChIKey LXOTWTSFFFNDHK-UHFFFAOYSA-N
Molecular Weight 435.531 g/mol
SMILES Nc1c(sc2nc(SCC(=O)OC)nc(c12)SCc1ccccc1)C(=O)OC
SPLASH splash10-000i-0002900000-8a7bd9c4fee7b8248c7e
Source of Spectrum AJ-42-844-6
Synonyms 5-amino-2-[(2-methoxy-2-oxoethyl)thio]-4-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester methyl 5-amino-4-benzylsulfanyl-2-(2-methoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate methyl 5-amino-4-benzylsulfanyl-2-(2-methoxy-2-oxo-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate methyl 5-azanyl-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID 1568035