Chemical Components in the PDB

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H35 : Summary

Code

H35

One-letter code

X

Molecule name

N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(furan-2-ylmethyl)-7H-purin-6-amine
OpenEye OEToolkits 1.5.0 N-(furan-2-ylmethyl)-7H-purin-6-amine

Formula

C10 H9 N5 O

Formal charge

0

Molecular weight

215.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c(NCc1occc1)c3ncnc3nc2
SMILES CACTVS 3.341 C(Nc1ncnc2nc[nH]c12)c3occc3
SMILES OpenEye OEToolkits 1.5.0 c1cc(oc1)CNc2c3c(nc[nH]3)ncn2
Canonical SMILES CACTVS 3.341 C(Nc1ncnc2nc[nH]c12)c3occc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(oc1)CNc2c3c(nc[nH]3)ncn2

IUPAC InChI

InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)

IUPAC InChI key

QANMHLXAZMSUEX-UHFFFAOYSA-N
H35

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-04-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned