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XTN : Summary

Code

XTN

One-letter code

X

Molecule name

2-amino-1,5-dihydropteridine-4,6-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 2-amino-1,5-dihydropteridine-4,6-dione
OpenEye OEToolkits 1.7.0 2-azanyl-1,5-dihydropteridine-4,6-dione

Formula

C6 H5 N5 O2

Formal charge

0

Molecular weight

179.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C=NC2=C(N1)C(=O)N=C(N)N2
SMILES CACTVS 3.370 NC1=NC(=O)C2=C(N1)N=CC(=O)N2
SMILES OpenEye OEToolkits 1.7.0 C1=NC2=C(C(=O)N=C(N2)N)NC1=O
Canonical SMILES CACTVS 3.370 NC1=NC(=O)C2=C(N1)N=CC(=O)N2
Canonical SMILES OpenEye OEToolkits 1.7.0 C1=NC2=C(C(=O)N=C(N2)N)NC1=O

IUPAC InChI

InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)

IUPAC InChI key

VURKRJGMSKJIQX-UHFFFAOYSA-N
XTN

wwPDB Information

Atom count

18 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-02-28

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned