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T62

Summary
Name:5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
Formula:C16 H13 N5 O2
Formal charge:0
Formula weight:307.307 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(2-amino[1,2,4]triazolo[1,5-c]quinazolin-5-yl)methyl]benzene-1,3-diol
OpenEye OEToolkits1.7.65-[(2-azanyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)methyl]benzene-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(O)cc(O)c4
InChIInChI1.03InChI=1S/C16H13N5O2/c17-16-19-15-12-3-1-2-4-13(12)18-14(21(15)20-16)7-9-5-10(22)8-11(23)6-9/h1-6,8,22-23H,7H2,(H2,17,20)
InChIKeyInChI1.03DXCBGOVJQFRCDX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nn2c(Cc3cc(O)cc(O)c3)nc4ccccc4c2n1
SMILESCACTVS3.385Nc1nn2c(Cc3cc(O)cc(O)c3)nc4ccccc4c2n1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N

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PDB entries from 2024-08-07

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