Chemical Components in the PDB

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6FB : Summary

Code

6FB

One-letter code

X

Molecule name

pyrido[3,4-g]quinazolin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 pyrido[3,4-g]quinazolin-2-amine
OpenEye OEToolkits 2.0.4 pyrido[3,4-g]quinazolin-2-amine

Formula

C11 H8 N4

Formal charge

0

Molecular weight

196.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c2c1cnc(N)nc1cc3c2cncc3
SMILES CACTVS 3.385 Nc1ncc2cc3cnccc3cc2n1
SMILES OpenEye OEToolkits 2.0.4 c1cncc2c1cc3c(c2)cnc(n3)N
Canonical SMILES CACTVS 3.385 Nc1ncc2cc3cnccc3cc2n1
Canonical SMILES OpenEye OEToolkits 2.0.4 c1cncc2c1cc3c(c2)cnc(n3)N

IUPAC InChI

InChI=1S/C11H8N4/c12-11-14-6-9-3-8-5-13-2-1-7(8)4-10(9)15-11/h1-6H,(H2,12,14,15)

IUPAC InChI key

HTMYPIWEXZOFDM-UHFFFAOYSA-N
6FB

wwPDB Information

Atom count

23 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-30

Last modified at

2016-04-29

Status

Released

Obsoleted

Not Assigned