Chemical Components in the PDB

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Z0W : Summary

Code

Z0W

One-letter code

X

Molecule name

5H-pyrimido[5,4-b]indole

Systematic names

ProgramVersionName
ACDLabs 12.01 5H-pyrimido[5,4-b]indole
OpenEye OEToolkits 1.9.2 5H-pyrimido[5,4-b]indole

Formula

C10 H7 N3

Formal charge

0

Molecular weight

169.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cc3c(nc1)c2c(cccc2)n3
SMILES CACTVS 3.385 [nH]1c2ccccc2c3ncncc13
SMILES OpenEye OEToolkits 1.9.2 c1ccc2c(c1)c3c([nH]2)cncn3
Canonical SMILES CACTVS 3.385 [nH]1c2ccccc2c3ncncc13
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc2c(c1)c3c([nH]2)cncn3

IUPAC InChI

InChI=1S/C10H7N3/c1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10/h1-6,13H

IUPAC InChI key

IADMQABXGAXDPF-UHFFFAOYSA-N
Z0W

wwPDB Information

Atom count

20 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-09

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned