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P19 : Summary

Code

P19

One-letter code

X

Molecule name

N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
OpenEye OEToolkits 1.5.0 N,N'-diphenylpyrazolo[5,1-f][1,3,5]triazine-2,4-diamine

Formula

C17 H14 N6

Formal charge

0

Molecular weight

302.333 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4
SMILES CACTVS 3.341 N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4
Canonical SMILES CACTVS 3.341 N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4

IUPAC InChI

InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)

IUPAC InChI key

LLYYAUZAGCZEKV-UHFFFAOYSA-N
P19

wwPDB Information

Atom count

37 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-05-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned