Chemical Components in the PDB

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SYV : Summary

Code

SYV

One-letter code

X

Molecule name

6-azanyl-3-methyl-1,3-benzoxazol-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-azanyl-3-methyl-1,3-benzoxazol-2-one

Formula

C8 H8 N2 O2

Formal charge

0

Molecular weight

164.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C(=O)Oc2cc(N)ccc12
SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(cc2OC1=O)N
Canonical SMILES CACTVS 3.385 CN1C(=O)Oc2cc(N)ccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(cc2OC1=O)N

IUPAC InChI

InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3

IUPAC InChI key

FPNLXQSOWBNXCN-UHFFFAOYSA-N
SYV

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-13

Last modified at

2020-05-29

Status

Released

Obsoleted

Not Assigned