(5-bromanyl-2-methoxy-phenyl)methyl-[(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-azanium Openeye Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(5-bromo-2-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(5-bromo-2-methoxyphenyl)methyl]-methylammonium IUPAC Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-[(5-bromo-2-methoxyphenyl)methyl]-methylazanium Traditional Name: (6-acetyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl-(5-bromo-2-methoxy-benzyl)-methyl-ammonium Formula: C19H21BrN3O3S+ MolecularWeight: 451.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=C(C=CC(=C3)Br)OC)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+](C)CC3=C(C=CC(=C3)Br)OC)C(=O)C

InChI

InChI=1S/C19H20BrN3O3S/c1-10-16-18(25)21-15(22-19(16)27-17(10)11(2)24)9-23(3)8-12-7-13(20)5-6-14(12)26-4/h5-7H,8-9H2,1-4H3,(H,21,22,25)/p+1