Chemical Components in the PDB

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MO8 : Summary

Code

MO8

One-letter code

X

Molecule name

4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

Systematic names

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

Formula

C8 H11 N3 S

Formal charge

0

Molecular weight

181.258 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(c2c(nc1N)CCSC2)C
SMILES CACTVS 3.341 Cc1nc(N)nc2CCSCc12
SMILES OpenEye OEToolkits 1.5.0 Cc1c2c(nc(n1)N)CCSC2
Canonical SMILES CACTVS 3.341 Cc1nc(N)nc2CCSCc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c2c(nc(n1)N)CCSC2

IUPAC InChI

InChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)

IUPAC InChI key

ONZWAEXRMZGFAN-UHFFFAOYSA-N
MO8

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned