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

Systemtic Name: 2-[(4-prop-2-enylpiperazine-1,4-diium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-allylpiperazine-1,4-diium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-prop-2-enyl-1-piperazine-1,4-diiumyl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-prop-2-enylpiperazine-1,4-diium-1-yl)methyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-allylpiperazine-1,4-diium-1-yl)methyl]-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H22N4OS2+2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4OS2/c1-2-5-21-6-8-22(9-7-21)11-15-19-17(23)16-13(12-25-18(16)20-15)14-4-3-10-24-14/h2-4,10,12H,1,5-9,11H2,(H,19,20,23)/p+2