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

Systemtic Name: [5,6-dimethyl-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone Openeye Name: [5,6-dimethyl-3-(2-pyridylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone CAS Name: [5,6-dimethyl-3-(2-pyridinylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone IUPAC Name: [5,6-dimethyl-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenylmethanone Traditional Name: [5,6-dimethyl-3-(2-pyridylmethyl)-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-phenyl-methanone Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)CC4=CC=CC=N4)C

Isomeric SMILES

CC1=C(SC2=C1C[NH+](CN2C(=O)C3=CC=CC=C3)CC4=CC=CC=N4)C

InChI

InChI=1S/C21H21N3OS/c1-15-16(2)26-21-19(15)13-23(12-18-10-6-7-11-22-18)14-24(21)20(25)17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3/p+1