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DX2 : Summary

Code

DX2

One-letter code

X

Molecule name

6-phenylpteridine-2,4,7-triamine

Systematic names

ProgramVersionName
ACDLabs 10.04 6-phenylpteridine-2,4,7-triamine
OpenEye OEToolkits 1.5.0 6-phenylpteridine-2,4,7-triamine

Formula

C12 H11 N7

Formal charge

0

Molecular weight

253.263 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N
SMILES CACTVS 3.341 Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
Canonical SMILES CACTVS 3.341 Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N

IUPAC InChI

InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

IUPAC InChI key

FNYLWPVRPXGIIP-UHFFFAOYSA-N
DX2

wwPDB Information

Atom count

30 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-12-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned