Chemical Components in the PDB

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GV1 : Summary

Code

GV1

One-letter code

X

Molecule name

~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

Formula

C10 H13 N3 S

Formal charge

0

Molecular weight

207.295 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(C)c1ncnc2sc(C)c(C)c12
SMILES OpenEye OEToolkits 2.0.6 Cc1c(sc2c1c(ncn2)N(C)C)C
Canonical SMILES CACTVS 3.385 CN(C)c1ncnc2sc(C)c(C)c12
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1c(sc2c1c(ncn2)N(C)C)C

IUPAC InChI

InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3

IUPAC InChI key

YFDMPSHJDVETSL-UHFFFAOYSA-N
GV1

wwPDB Information

Atom count

27 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-01

Last modified at

2018-10-05

Status

Released

Obsoleted

Not Assigned