Chemical Components in the PDB

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GX5 : Summary

Code

GX5

One-letter code

X

Molecule name

2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-pyrido[3,2-d]pyrimidin-4-amine

Formula

C15 H13 Cl N4 O

Formal charge

0

Molecular weight

300.743 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23
SMILES OpenEye OEToolkits 2.0.7 CN(c1ccc(cc1)OC)c2c3c(cccn3)nc(n2)Cl
Canonical SMILES CACTVS 3.385 COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(c1ccc(cc1)OC)c2c3c(cccn3)nc(n2)Cl

IUPAC InChI

InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3

IUPAC InChI key

RMEGSJKWVTVCMY-UHFFFAOYSA-N
GX5

wwPDB Information

Atom count

34 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-05-18

Last modified at

2023-05-12

Status

Released

Obsoleted

Not Assigned