2606144-45-8

Name 1H-Pyrazole-1-propanenitrile, 4-(6-amino-5-formyl-4-pyrimidinyl)-β-cyclopentyl-, (βR)-
CAS 2606144-45-8
Molecular Formula C16H18N6O
Molecular Weight 310.36
MOL File 2606144-45-8.mol
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Chemical Properties

Boiling point  619.9±55.0 °C(Predicted)
density  1.40±0.1 g/cm3(Predicted)
pka 2.77±0.10(Predicted)
InChI InChI=1/C16H18N6O/c17-6-5-14(11-3-1-2-4-11)22-8-12(7-21-22)15-13(9-23)16(18)20-10-19-15/h7-11,14H,1-5H2,(H2,18,19,20)/t14-/s3
InChIKey MHFAFIWXZXNGJT-WDHUHKLTNA-N
SMILES C(C1=C(N=CN=C1C1C=NN([C@@H](C2CCCC2)CC#N)C=1)N)=O |&1:11,r|

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