Chemical Components in the PDB

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BFR : Summary

Code

BFR

One-letter code

X

Molecule name

N-butyl-N'-(diaminomethylidene)guanidine

Synonyms

Buformin

Systematic names

ProgramVersionName
ACDLabs 12.01 N-butyl-N'-(diaminomethylidene)guanidine
OpenEye OEToolkits 2.0.6 1-[bis(azanyl)methylidene]-3-butyl-guanidine

Formula

C6 H15 N5

Formal charge

0

Molecular weight

157.217 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C)CCN\C(=N)\N=C(/N)N
SMILES CACTVS 3.385 CCCCNC(=N)N=C(N)N
SMILES OpenEye OEToolkits 2.0.6 CCCCNC(=N)N=C(N)N
Canonical SMILES CACTVS 3.385 CCCCNC(=N)N=C(N)N
Canonical SMILES OpenEye OEToolkits 2.0.6 [H]/N=C(\NCCCC)/N=C(N)N

IUPAC InChI

InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)

IUPAC InChI key

XSEUMFJMFFMCIU-UHFFFAOYSA-N
BFR

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-19

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned