PE2

?

Summary

Name:9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE
Formula:C10 H15 N5 O3
Formal charge:0
Molecular weight:253.258 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one
OpenEye OEToolkits1.5.02-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c2ncn(c2N=C(N1)N)CCC(CO)CO
SMILES_CANONICALCACTVS3.341NC1=Nc2n(CCC(CO)CO)cnc2C(=O)N1
SMILESCACTVS3.341NC1=Nc2n(CCC(CO)CO)cnc2C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N
InChIInChI1.03InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
InChIKeyInChI1.03JNTOCHDNEULJHD-UHFFFAOYSA-N
167327
PDB entries from 2020-08-05