5-ethyl-6-methyl-2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[[3-methyl-4-(m-tolyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-[[3-methyl-4-(m-tolyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(C(C3)C)C4=CC=CC(=C4)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(C(C3)C)C4=CC=CC(=C4)C)C

InChI

InChI=1S/C22H28N4OS/c1-5-18-16(4)28-22-20(18)21(27)23-19(24-22)13-25-9-10-26(15(3)12-25)17-8-6-7-14(2)11-17/h6-8,11,15H,5,9-10,12-13H2,1-4H3,(H,23,24,27)