6-methyl-5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-(1-pyrrolidin-1-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(p-tolyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCCC4)C

InChI

InChI=1S/C19H21N3OS/c1-12-5-7-14(8-6-12)16-13(2)24-19-17(16)18(23)20-15(21-19)11-22-9-3-4-10-22/h5-8H,3-4,9-11H2,1-2H3,(H,20,21,23)/p+1