Chemical Components in the PDB

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UG4 : Summary

Code

UG4

One-letter code

X

Molecule name

5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
OpenEye OEToolkits 2.0.7 5-azanyl-1-pyridin-3-yl-imidazole-4-carboxamide

Formula

C9 H9 N5 O

Formal charge

0

Molecular weight

203.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(cccnc1)n2c(c(nc2)C(N)=O)N
SMILES CACTVS 3.385 NC(=O)c1ncn(c2cccnc2)c1N
SMILES OpenEye OEToolkits 2.0.7 c1cc(cnc1)n2cnc(c2N)C(=O)N
Canonical SMILES CACTVS 3.385 NC(=O)c1ncn(c2cccnc2)c1N
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cnc1)n2cnc(c2N)C(=O)N

IUPAC InChI

InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15)

IUPAC InChI key

WZVCHXNAUQIDJM-UHFFFAOYSA-N
UG4

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-16

Last modified at

2021-03-19

Status

Released

Obsoleted

Not Assigned