Chemical Component Summary

Name8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Identifiers8-[(E)-2-cyclopropylethenyl]-2-(dimethylaminomethyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
FormulaC18 H19 N3 O S
Molecular Weight325.428
TypeNON-POLYMER
Isomeric SMILESCN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4
InChIInChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+
InChIKeyCPHAAKSWOQSYIW-AATRIKPKSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL576387
PubChem 135566502, 44251517
ChEMBL CHEMBL576387