Chemical Components in the PDB

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IXG : Summary

Code

IXG

One-letter code

X

Molecule name

N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine
OpenEye OEToolkits 1.7.6 N6-methyl-N6-phenyl-pyrido[2,3-d]pyrimidine-2,4,6-triamine

Formula

C14 H14 N6

Formal charge

0

Molecular weight

266.301 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cc(cc2c1nc(nc2N)N)N(c3ccccc3)C
SMILES CACTVS 3.370 CN(c1ccccc1)c2cnc3nc(N)nc(N)c3c2
SMILES OpenEye OEToolkits 1.7.6 CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N
Canonical SMILES CACTVS 3.370 CN(c1ccccc1)c2cnc3nc(N)nc(N)c3c2
Canonical SMILES OpenEye OEToolkits 1.7.6 CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N

IUPAC InChI

InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)10-7-11-12(15)18-14(16)19-13(11)17-8-10/h2-8H,1H3,(H4,15,16,17,18,19)

IUPAC InChI key

GPOMGDQKAATFBU-UHFFFAOYSA-N
IXG

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-08

Last modified at

2013-05-10

Status

Released

Obsoleted

Not Assigned