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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(furan-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(2-furyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(2-furanyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-methylazanium Traditional Name: [5-(2-furyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-piperonyl-ammonium Formula: C20H18N3O4S+ MolecularWeight: 396.43962

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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=CO5)C(=O)N3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

InChI

InChI=1S/C20H17N3O4S/c1-23(8-12-4-5-15-16(7-12)27-11-26-15)9-17-21-19(24)18-13(10-28-20(18)22-17)14-3-2-6-25-14/h2-7,10H,8-9,11H2,1H3,(H,21,22,24)/p+1