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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H26N4OS+2 MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)C[NH+]4CC[NH+](CC4)C)C

InChI

InChI=1S/C20H24N4OS/c1-13-4-6-15(7-5-13)17-14(2)26-20-18(17)19(25)21-16(22-20)12-24-10-8-23(3)9-11-24/h4-7H,8-12H2,1-3H3,(H,21,22,25)/p+2