Chemical Components in the PDB

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S0G : Summary

Code

S0G

One-letter code

X

Molecule name

6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione

Systematic names

ProgramVersionName
ACDLabs 12.01 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.7.6 6-azanyl-1-methyl-5-piperidin-1-yl-pyrimidine-2,4-dione

Formula

C10 H16 N4 O2

Formal charge

0

Molecular weight

224.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1C(=C(N)N(C(=O)N1)C)N2CCCCC2
SMILES CACTVS 3.385 CN1C(=C(N2CCCCC2)C(=O)NC1=O)N
SMILES OpenEye OEToolkits 1.7.6 CN1C(=C(C(=O)NC1=O)N2CCCCC2)N
Canonical SMILES CACTVS 3.385 CN1C(=C(N2CCCCC2)C(=O)NC1=O)N
Canonical SMILES OpenEye OEToolkits 1.7.6 CN1C(=C(C(=O)NC1=O)N2CCCCC2)N

IUPAC InChI

InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)

IUPAC InChI key

ABFVQIXFKQQEOF-UHFFFAOYSA-N
S0G

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-11-06

Last modified at

2014-04-11

Status

Released

Obsoleted

Not Assigned