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5-AMINO-4-PYRROLIDINO-2-(PYRROLIDINOCARBONYLMETHYLSULFANYL)-THIENO-[2,3-D]-PYRIMIDIN-6-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID Q6o17RMArn
InChI InChI=1S/C18H23N5O3S2/c1-26-17(25)14-13(19)12-15(23-8-4-5-9-23)20-18(21-16(12)28-14)27-10-11(24)22-6-2-3-7-22/h2-10,19H2,1H3
InChIKey CKRMPPVCVOSPPL-UHFFFAOYSA-N
Mol Weight 421.53 g/mol
Molecular Formula C18H23N5O3S2
Exact Mass 421.124232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LLWX0x9AGK
Name 5-amino-2-[(2-keto-2-pyrrolidino-ethyl)thio]-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H23N5O3S2
InChI InChI=1S/C18H23N5O3S2/c1-26-17(25)14-13(19)12-15(23-8-4-5-9-23)20-18(21-16(12)28-14)27-10-11(24)22-6-2-3-7-22/h2-10,19H2,1H3
InChIKey CKRMPPVCVOSPPL-UHFFFAOYSA-N
Molecular Weight 421.534 g/mol
SMILES Nc1c2c(nc(nc2N2CCCC2)SCC(=O)N2CCCC2)sc1C(=O)OC
SPLASH splash10-00di-0003900000-29eaa4abf3a885ee906e
Source of Spectrum AJ-42-845-8
Synonyms 5-amino-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester methyl 5-amino-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate methyl 5-azanyl-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate
Wiley ID 1568028