Chemical Components in the PDB

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IPZ : Summary

Code

IPZ

One-letter code

X

Molecule name

2-ISOPROPYL-3-METHOXYPYRAZINE

Synonyms

2-METHOXY-3-ISOPROPYLPYRAZINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-methoxy-3-(1-methylethyl)pyrazine
OpenEye OEToolkits 1.5.0 2-methoxy-3-propan-2-yl-pyrazine

Formula

C8 H12 N2 O

Formal charge

0

Molecular weight

152.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(c1nccnc1C(C)C)C
SMILES CACTVS 3.341 COc1nccnc1C(C)C
SMILES OpenEye OEToolkits 1.5.0 CC(C)c1c(nccn1)OC
Canonical SMILES CACTVS 3.341 COc1nccnc1C(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)c1c(nccn1)OC

IUPAC InChI

InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3

IUPAC InChI key

NTOPKICPEQUPPH-UHFFFAOYSA-N
IPZ

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-09-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned