1Q3

(1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile


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Chemical Component Summary

Name(1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile
Identifiers(1R,2S)-2-[[8-oxidanylidene-2-(1H-pyrazol-4-yl)-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile
FormulaC16 H15 N7 O
Molecular Weight321.337
TypeNON-POLYMER
Isomeric SMILESc1c(cn[nH]1)c2nc3c(c(n2)N[C@H]4CCC[C@H]4C#N)CC=NC3=O
InChIInChI=1S/C16H15N7O/c17-6-9-2-1-3-12(9)21-15-11-4-5-18-16(24)13(11)22-14(23-15)10-7-19-20-8-10/h5,7-9,12H,1-4H2,(H,19,20)(H,21,22,23)/t9-,12-/m0/s1
InChIKeyGGNYHYINELGWQU-CABZTGNLSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count2
Bond Count42
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 137347978