2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C23H21N3O3S/c1-26(13-15-7-8-18-19(11-15)29-10-9-28-18)14-21-24-22(27)17-12-20(30-23(17)25-21)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,25,27)/p+1