Chemical Components in the PDB

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MY6 : Summary

Code

MY6

One-letter code

X

Molecule name

2-amino-7-methyl-1,7-dihydro-6H-purin-6-one

Systematic names

ProgramVersionName
ACDLabs 12.01 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.7.0 2-azanyl-7-methyl-1H-purin-6-one

Formula

C6 H7 N5 O

Formal charge

0

Molecular weight

165.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1c2c(N=C(N1)N)ncn2C
SMILES CACTVS 3.370 Cn1cnc2N=C(N)NC(=O)c12
SMILES OpenEye OEToolkits 1.7.0 Cn1cnc2c1C(=O)NC(=N2)N
Canonical SMILES CACTVS 3.370 Cn1cnc2N=C(N)NC(=O)c12
Canonical SMILES OpenEye OEToolkits 1.7.0 Cn1cnc2c1C(=O)NC(=N2)N

IUPAC InChI

InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

IUPAC InChI key

FZWGECJQACGGTI-UHFFFAOYSA-N
MY6

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-05-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned