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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C19H21N3O2S/c1-12-3-5-14(6-4-12)16-13(2)25-19-17(16)18(23)20-15(21-19)11-22-7-9-24-10-8-22/h3-6H,7-11H2,1-2H3,(H,20,21,23)/p+1