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B2J : Summary

Code

B2J

One-letter code

X

Molecule name

4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine
OpenEye OEToolkits 1.7.2 4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine

Formula

C6 H10 N4 S

Formal charge

0

Molecular weight

170.235 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 S(c1nc(nc(n1)N)C)CC
SMILES CACTVS 3.370 CCSc1nc(C)nc(N)n1
SMILES OpenEye OEToolkits 1.7.2 CCSc1nc(nc(n1)N)C
Canonical SMILES CACTVS 3.370 CCSc1nc(C)nc(N)n1
Canonical SMILES OpenEye OEToolkits 1.7.2 CCSc1nc(nc(n1)N)C

IUPAC InChI

InChI=1S/C6H10N4S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)

IUPAC InChI key

PJQMCVIFTDRXNT-UHFFFAOYSA-N
B2J

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-08-02

Last modified at

2011-09-09

Status

Released

Obsoleted

Not Assigned