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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methylthiophen-2-yl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-2-thienyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methyl-2-thiophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: [4-keto-5-(5-methyl-2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methyl-piperonyl-ammonium Formula: C21H20N3O3S2+ MolecularWeight: 426.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+](C)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(S1)C2=CSC3=C2C(=O)NC(=N3)C[NH+](C)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O3S2/c1-12-3-6-17(29-12)14-10-28-21-19(14)20(25)22-18(23-21)9-24(2)8-13-4-5-15-16(7-13)27-11-26-15/h3-7,10H,8-9,11H2,1-2H3,(H,22,23,25)/p+1