KWJ

(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one



Chemical Component Summary

Name(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Identifiers(7~{R})-7-methyl-2-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]-5,8-bis(prop-2-ynyl)-7~{H}-pteridin-6-one
FormulaC20 H17 N7 O2
Molecular Weight387.395
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1C(=O)N(c2cnc(nc2N1CC#C)Nc3ccc4c(c3)NNC4=O)CC#C
InChIInChI=1S/C20H17N7O2/c1-4-8-26-12(3)19(29)27(9-5-2)16-11-21-20(23-17(16)26)22-13-6-7-14-15(10-13)24-25-18(14)28/h1-2,6-7,10-12H,8-9H2,3H3,(H,21,22,23)(H2,24,25,28)/t12-/m1/s1
InChIKeyGDTXGHSGLKEJJP-GFCCVEGCSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count49
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137349664