5-phenyl-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(4-propyl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N3OS+ MolecularWeight: 362.468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H19N3OS/c1-2-6-15-9-11-24(12-10-15)13-18-22-20(25)19-17(14-26-21(19)23-18)16-7-4-3-5-8-16/h3-5,7-12,14H,2,6,13H2,1H3/p+1