Chemical Components in the PDB

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ZSG : Summary

Code

ZSG

One-letter code

X

Molecule name

(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
OpenEye OEToolkits 2.0.7 5-(2-azanylpyrimidin-4-yl)-~{N}-[2-(dimethylamino)ethyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-2-carboxamide

Formula

C15 H22 N8 O

Formal charge

0

Molecular weight

330.388 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
SMILES CACTVS 3.385 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3
SMILES OpenEye OEToolkits 2.0.7 CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N
Canonical SMILES CACTVS 3.385 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N

IUPAC InChI

InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)

IUPAC InChI key

SOQWCHRGAQNWSN-UHFFFAOYSA-N
ZSG

wwPDB Information

Atom count

46 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-28

Last modified at

2021-08-27

Status

Released

Obsoleted

Not Assigned