Chemical Components in the PDB

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0TZ : Summary

Code

0TZ

One-letter code

X

Molecule name

3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
OpenEye OEToolkits 1.7.6 3-(4-azanyl-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

Formula

C14 H13 N9

Formal charge

0

Molecular weight

307.313 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n2c1ccccn1c(c2Nc3ccnn3)c4nc(nc(n4)N)C
SMILES CACTVS 3.370 Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4
SMILES OpenEye OEToolkits 1.7.6 Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4
Canonical SMILES CACTVS 3.370 Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4

IUPAC InChI

InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)

IUPAC InChI key

OEQWYIZFUDGMEW-UHFFFAOYSA-N
0TZ

wwPDB Information

Atom count

36 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-06-12

Last modified at

2012-07-13

Status

Released

Obsoleted

Not Assigned