1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: [4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-piperonyl-ammonium Formula: C20H18N3O3S2+ MolecularWeight: 412.50522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CS5)C(=O)N3

InChI

InChI=1S/C20H17N3O3S2/c1-23(8-12-4-5-14-15(7-12)26-11-25-14)9-17-21-19(24)18-13(10-28-20(18)22-17)16-3-2-6-27-16/h2-7,10H,8-9,11H2,1H3,(H,21,22,24)/p+1