Chemical Components in the PDB

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HR0 : Summary

Code

HR0

One-letter code

X

Molecule name

5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-methyl-8-oxidanyl-2,3,7,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile

Formula

C11 H7 N5 O

Formal charge

0

Molecular weight

225.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1nn2c3ncccc3c(O)nc2c1C#N
SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2nc(c3cccnc3n2n1)O)C#N
Canonical SMILES CACTVS 3.385 Cc1nn2c3ncccc3c(O)nc2c1C#N
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(c2nc(c3cccnc3n2n1)O)C#N

IUPAC InChI

InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)

IUPAC InChI key

FIRSAIIBSBCBTF-UHFFFAOYSA-N
HR0

wwPDB Information

Atom count

24 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-28

Last modified at

2022-01-21

Status

Released

Obsoleted

Not Assigned