Chemical Components in the PDB

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1LW : Summary

Code

1LW

One-letter code

X

Molecule name

5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
OpenEye OEToolkits 1.7.6 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine

Formula

C11 H12 N2 S

Formal charge

0

Molecular weight

204.291 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1c3c(c(c2c1scc2)N)CCCC3
SMILES CACTVS 3.370 Nc1c2CCCCc2nc3sccc13
SMILES OpenEye OEToolkits 1.7.6 c1csc2c1c(c3c(n2)CCCC3)N
Canonical SMILES CACTVS 3.370 Nc1c2CCCCc2nc3sccc13
Canonical SMILES OpenEye OEToolkits 1.7.6 c1csc2c1c(c3c(n2)CCCC3)N

IUPAC InChI

InChI=1S/C11H12N2S/c12-10-7-3-1-2-4-9(7)13-11-8(10)5-6-14-11/h5-6H,1-4H2,(H2,12,13)

IUPAC InChI key

PMWMMNQYOBSEDT-UHFFFAOYSA-N
1LW

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-03-24

Last modified at

2013-04-26

Status

Released

Obsoleted

Not Assigned