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5-amino-4-(1-piperidinyl)-2-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID GUz0nA3W4MG
InChI InChI=1S/C20H29N5O2S/c1-20(2,3)27-18(26)15-14(21)13-16(24-9-5-4-6-10-24)22-19(23-17(13)28-15)25-11-7-8-12-25/h4-12,21H2,1-3H3
InChIKey KLVTYUOQZDYUBM-UHFFFAOYSA-N
Mol Weight 403.55 g/mol
Molecular Formula C20H29N5O2S
Exact Mass 403.204196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hvZIzxd35S
Name 5-amino-4-(1-piperidinyl)-2-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid tert-butyl ester
Alternate Name(s) 5-amino-4-piperidino-2-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxylic acid tert-butyl ester tert-butyl 5-amino-4-(1-piperidyl)-2-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate tert-butyl 5-amino-4-piperidin-1-yl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate tert-butyl 5-azanyl-4-piperidin-1-yl-2-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H29N5O2S
InChI InChI=1S/C20H29N5O2S/c1-20(2,3)27-18(26)15-14(21)13-16(24-9-5-4-6-10-24)22-19(23-17(13)28-15)25-11-7-8-12-25/h4-12,21H2,1-3H3
InChIKey KLVTYUOQZDYUBM-UHFFFAOYSA-N
Molecular Weight 403.545 g/mol
SMILES Nc1c2c(nc(nc2N2CCCCC2)N2CCCC2)sc1C(=O)OC(C)(C)C
SPLASH splash10-0f6t-0009500000-422b0a9601123ea6b60e
Source of Spectrum AJ-42-846-10
Wiley ID 1568019