(3,4-dimethoxyphenyl)methyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-methyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-methyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-methyl-veratryl-ammonium Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C17H19N3O3S/c1-20(9-11-4-5-13(22-2)14(8-11)23-3)10-15-18-12-6-7-24-16(12)17(21)19-15/h4-8H,9-10H2,1-3H3,(H,18,19,21)/p+1