Chemical Components in the PDB

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N6M : Summary

Code

N6M

One-letter code

X

Molecule name

N-METHYL-9H-PURIN-6-AMINE

Synonyms

N6-METHYL ADENINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-methyl-9H-purin-6-amine
OpenEye OEToolkits 1.6.1 N-methyl-9H-purin-6-amine

Formula

C6 H7 N5

Formal charge

0

Molecular weight

149.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1c(ncn1)c(nc2)NC
SMILES CACTVS 3.352 CNc1ncnc2[nH]cnc12
SMILES OpenEye OEToolkits 1.6.1 CNc1c2c([nH]cn2)ncn1
Canonical SMILES CACTVS 3.352 CNc1ncnc2[nH]cnc12
Canonical SMILES OpenEye OEToolkits 1.6.1 CNc1c2c([nH]cn2)ncn1

IUPAC InChI

InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)

IUPAC InChI key

CKOMXBHMKXXTNW-UHFFFAOYSA-N
N6M

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-08-09

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned