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F1T : Summary

Code

F1T

One-letter code

X

Molecule name

3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3,6-dimethyl-~{N}-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

Formula

C14 H11 F3 N4 O

Formal charge

0

Molecular weight

308.259 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1
SMILES OpenEye OEToolkits 2.0.6 Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F
Canonical SMILES CACTVS 3.385 Cc1nc(Nc2ccc(cc2)C(F)(F)F)c3c(C)noc3n1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F

IUPAC InChI

InChI=1S/C14H11F3N4O/c1-7-11-12(18-8(2)19-13(11)22-21-7)20-10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,20)

IUPAC InChI key

DICIXXZXANPVKT-UHFFFAOYSA-N
F1T

wwPDB Information

Atom count

33 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-16

Last modified at

2018-09-14

Status

Released

Obsoleted

Not Assigned