Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

EA1 : Summary

Code

EA1

One-letter code

X

Molecule name

3H-IMIDAZO[2,1-I]PURINE

Synonyms

1,N6-ETHENOADENINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3H-imidazo[2,1-i]purine
OpenEye OEToolkits 1.5.0 3H-imidazo[2,1-f]purine

Formula

C7 H5 N5

Formal charge

0

Molecular weight

159.148 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2cnc3ncn1c(ncc1)c23
SMILES CACTVS 3.341 [nH]1cnc2c1ncn3ccnc23
SMILES OpenEye OEToolkits 1.5.0 c1cn2cnc3c(c2n1)nc[nH]3
Canonical SMILES CACTVS 3.341 [nH]1cnc2c1ncn3ccnc23
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cn2cnc3c(c2n1)nc[nH]3

IUPAC InChI

InChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)

IUPAC InChI key

OGVOXGPIHFKUGM-UHFFFAOYSA-N
EA1

wwPDB Information

Atom count

17 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-07-07

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned