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

Systemtic Name: 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H20N4OS/c1-13-3-2-4-14(11-13)22-8-6-21(7-9-22)12-16-19-15-5-10-24-17(15)18(23)20-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,20,23)/p+1