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4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid ethyl ester
SpectraBase Compound ID 87pxEnZcyPC
InChI InChI=1S/C17H19N5O2/c1-2-24-16(23)11-6-3-10(4-7-11)5-8-12-9-20-15-13(12)14(18)21-17(19)22-15/h3-4,6-7,9H,2,5,8H2,1H3,(H5,18,19,20,21,22)
InChIKey GRXFIDLCISVXKU-UHFFFAOYSA-N
Mol Weight 325.37 g/mol
Molecular Formula C17H19N5O2
Exact Mass 325.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fp9Ep48qYW
Name 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid ethyl ester
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Formula C17H19N5O2
InChI InChI=1S/C17H19N5O2/c1-2-24-16(23)11-6-3-10(4-7-11)5-8-12-9-20-15-13(12)14(18)21-17(19)22-15/h3-4,6-7,9H,2,5,8H2,1H3,(H5,18,19,20,21,22)
InChIKey GRXFIDLCISVXKU-UHFFFAOYSA-N
Molecular Weight 325.372 g/mol
SMILES NC=1N=C(NC=2C1C(=CN2)CCc1ccc(C(=O)OCC)cc1)N
SPLASH splash10-03di-0904000000-92fc56bb45f4d7a1de70
Source of Spectrum J-60-6687-8
Synonyms Ethyl 4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Ethyl 4-[2-[2,4-bis(azanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoate
Wiley ID 1323934