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JZ8

Summary
Name:5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
Formula:C16 H15 N5
Formal charge:2
Formula weight:277.324 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.025-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium
OpenEye OEToolkits1.6.15-methyl-N-naphthalen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium-7-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C
SMILES_CANONICALCACTVS3.352Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1
SMILESCACTVS3.352Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[nH+]c4n1
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3
SMILESOpenEye OEToolkits1.7.0Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3
InChIInChI1.03InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2
InChIKeyInChI1.03GNJXIZOPHGMAQW-UHFFFAOYSA-P

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건을2024-07-17부터공개중

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