Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

UPZ : Summary

Code

UPZ

One-letter code

X

Molecule name

ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ethyl 7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Formula

C10 H11 N3 O3

Formal charge

0

Molecular weight

221.213 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1
SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)C1=C(N2C(=CC(=O)N2)N=C1)C
Canonical SMILES CACTVS 3.385 CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCOC(=O)C1=C(N2C(=CC(=O)N2)N=C1)C

IUPAC InChI

InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-9(14)12-13(8)6(7)2/h4-5H,3H2,1-2H3,(H,12,14)

IUPAC InChI key

UGSAIASUGJTLIZ-UHFFFAOYSA-N
UPZ

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-04

Last modified at

2023-02-10

Status

Released

Obsoleted

Not Assigned