[3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone Openeye Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone CAS Name: [3-[3-(1-imidazolyl)propyl]-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone IUPAC Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone Traditional Name: [3-(3-imidazol-1-ylpropyl)-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)CCCN4C=CN=C4)C

Isomeric SMILES

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)CCCN4C=CN=C4)C

InChI

InChI=1S/C21H24N4OS/c1-16-17(2)27-21-19(16)13-24(11-6-10-23-12-9-22-14-23)15-25(21)20(26)18-7-4-3-5-8-18/h3-5,7-9,12,14H,6,10-11,13,15H2,1-2H3/p+1