Chemical Components in the PDB

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K4Y : Summary

Code

K4Y

One-letter code

X

Molecule name

4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide
OpenEye OEToolkits 2.0.6 4-azanyl-~{N}-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Formula

C11 H12 N4 O3 S

Formal charge

0

Molecular weight

280.303 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc2ncnc(NS(c1ccc(cc1)N)(=O)=O)c2
SMILES CACTVS 3.385 COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1
SMILES OpenEye OEToolkits 2.0.6 COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N
Canonical SMILES CACTVS 3.385 COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N

IUPAC InChI

InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)

IUPAC InChI key

WMPXPUYPYQKQCX-UHFFFAOYSA-N
K4Y

wwPDB Information

Atom count

31 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-30

Last modified at

2019-11-01

Status

Released

Obsoleted

Not Assigned