XNB

N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine



Chemical Component Summary

NameN~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
IdentifiersN4-(cyclopropylmethyl)-N8-(2-methylsulfanylphenyl)-6-piperazin-1-yl-pyrimido[5,4-d]pyrimidine-4,8-diamine
FormulaC21 H26 N8 S
Molecular Weight422.55
TypeNON-POLYMER
Isomeric SMILESCSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
InChIInChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)
InChIKeyHFLMLZKGLUEWBU-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL2017214
PubChem 53348216
ChEMBL CHEMBL2017214