3-(2-methylphenyl)-4aH-thieno[3,2-d]pyrimidin-3-ium-4-one

Systemtic Name: 3-(2-methylphenyl)-4aH-thieno[3,2-d]pyrimidin-3-ium-4-one Openeye Name: 3-(o-tolyl)-4aH-thieno[3,2-d]pyrimidin-3-ium-4-one CAS Name: 3-(2-methylphenyl)-4aH-thieno[3,2-d]pyrimidin-3-ium-4-one IUPAC Name: 3-(2-methylphenyl)-4aH-thieno[3,2-d]pyrimidin-3-ium-4-one Traditional Name: 3-(o-tolyl)-4aH-thieno[3,2-d]pyrimidin-3-ium-4-one Formula: C13H11N2OS+ MolecularWeight: 243.30424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=CN=C3C=CSC3C2=O

Isomeric SMILES

CC1=CC=CC=C1[N+]2=CN=C3C=CSC3C2=O

InChI

InChI=1S/C13H11N2OS/c1-9-4-2-3-5-11(9)15-8-14-10-6-7-17-12(10)13(15)16/h2-8,12H,1H3/q+1