D79

?

Summary

Name:4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol
Formula:C18 H16 N8 O
Formal charge:0
Molecular weight:360.373 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H16N8O/c1-10-8-11(2)25-18(20-10)22-14(23-25)6-5-12-9-15(27)26-17(21-12)13-4-3-7-19-16(13)24-26/h3-4,7-9,27H,5-6H2,1-2H3
InChIKeyInChI1.03RWHNPVAUZAQFAE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1
SMILESCACTVS3.385Cc1cc(C)n2nc(CCc3cc(O)n4nc5ncccc5c4n3)nc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(n2c(n1)nc(n2)CCc3cc(n4c(n3)c5cccnc5n4)O)C