Chemical Components in the PDB

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0VV : Summary

Code

0VV

One-letter code

X

Molecule name

N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide
OpenEye OEToolkits 1.7.6 (2E)-2-sulfamoylimino-3,4-dihydro-1H-quinazoline

Formula

C8 H10 N4 O2 S

Formal charge

0

Molecular weight

226.256 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N
SMILES CACTVS 3.370 N[S](=O)(=O)N=C1NCc2ccccc2N1
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CNC(=NS(=O)(=O)N)N2
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)N=C1NCc2ccccc2N1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)CN/C(=N\S(=O)(=O)N)/N2

IUPAC InChI

InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12)

IUPAC InChI key

NQQBFHZTZMKZCO-UHFFFAOYSA-N
0VV

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-07-15

Last modified at

2013-06-28

Status

Released

Obsoleted

Not Assigned