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RZI : Summary

Code

RZI

One-letter code

X

Molecule name

9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine

Systematic names

ProgramVersionName
ACDLabs 12.01 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
OpenEye OEToolkits 2.0.7 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]purine-2,6-diamine

Formula

C12 H13 N7 S

Formal charge

0

Molecular weight

287.344 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Nc1nc(N)nc2c1ncn2Cc1csc(n1)C1CC1
SMILES CACTVS 3.385 Nc1nc(N)c2ncn(Cc3csc(n3)C4CC4)c2n1
SMILES OpenEye OEToolkits 2.0.7 c1c(nc(s1)C2CC2)Cn3cnc4c3nc(nc4N)N
Canonical SMILES CACTVS 3.385 Nc1nc(N)c2ncn(Cc3csc(n3)C4CC4)c2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(nc(s1)C2CC2)Cn3cnc4c3nc(nc4N)N

IUPAC InChI

InChI=1S/C12H13N7S/c13-9-8-10(18-12(14)17-9)19(5-15-8)3-7-4-20-11(16-7)6-1-2-6/h4-6H,1-3H2,(H4,13,14,17,18)

IUPAC InChI key

TXIARNZSMRYOQY-UHFFFAOYSA-N
RZI

wwPDB Information

Atom count

33 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-23

Last modified at

2022-07-08

Status

Released

Obsoleted

Not Assigned