2-[[4-(3-methylbut-2-enyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(3-methylbut-2-enyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(3-methylbut-2-enyl)piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(3-methylbut-2-enyl)-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(3-methylbut-2-enyl)piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(3-methylbut-2-enyl)piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H26N4OS2+2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C

Isomeric SMILES

CC(=CC[NH+]1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2)C

InChI

InChI=1S/C20H24N4OS2/c1-14(2)5-6-23-7-9-24(10-8-23)12-17-21-19(25)18-15(13-27-20(18)22-17)16-4-3-11-26-16/h3-5,11,13H,6-10,12H2,1-2H3,(H,21,22,25)/p+2