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DRL : Summary

Code

DRL

One-letter code

X

Molecule name

2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one

Systematic names

ProgramVersionName
ACDLabs 10.04 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
OpenEye OEToolkits 1.5.0 2-methyl-3,5,7,8-tetrahydrothiopyrano[3,4-e]pyrimidin-4-one

Formula

C8 H10 N2 O S

Formal charge

0

Molecular weight

182.243 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C2=C(N=C(N1)C)CCSC2
SMILES CACTVS 3.341 CC1=NC2=C(CSCC2)C(=O)N1
SMILES OpenEye OEToolkits 1.5.0 CC1=NC2=C(CSCC2)C(=O)N1
Canonical SMILES CACTVS 3.341 CC1=NC2=C(CSCC2)C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=NC2=C(CSCC2)C(=O)N1

IUPAC InChI

InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)

IUPAC InChI key

HRYKZAKEAVZGJD-UHFFFAOYSA-N
DRL

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-01-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned