Chemical Components in the PDB

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UAY : Summary

Code

UAY

One-letter code

X

Molecule name

7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 (7E)-7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione
OpenEye OEToolkits 2.0.7 7-azanylidene-2-phenyl-thieno[3,2-c]pyridine-4,6-dione

Formula

C13 H8 N2 O2 S

Formal charge

0

Molecular weight

256.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(ccccc1)c3sc\2c(C(NC(C/2=N)=O)=O)c3
SMILES CACTVS 3.385 N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)c2cc3c(s2)C(=N)C(=O)NC3=O
Canonical SMILES CACTVS 3.385 N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O

IUPAC InChI

InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)/b14-10-

IUPAC InChI key

CQHAROORCYWRRH-UVTDQMKNSA-N
UAY

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-06

Last modified at

2020-05-15

Status

Released

Obsoleted

Not Assigned