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

Systemtic Name: [3-[(5-bromanyl-2-methoxy-phenyl)methyl]-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-azanium Openeye Name: [3-[(5-bromo-2-methoxy-phenyl)methyl]-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium CAS Name: [3-[(5-bromo-2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]methyl-diethylammonium IUPAC Name: [3-[(5-bromo-2-methoxyphenyl)methyl]-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium Traditional Name: [3-(5-bromo-2-methoxy-benzyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]methyl-diethyl-ammonium Formula: C21H27BrN3O2S+ MolecularWeight: 465.42698

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[NH+](CC)CC1=NC2=C(C(=C(S2)C)C)C(=O)N1CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H26BrN3O2S/c1-6-24(7-2)12-18-23-20-19(13(3)14(4)28-20)21(26)25(18)11-15-10-16(22)8-9-17(15)27-5/h8-10H,6-7,11-12H2,1-5H3/p+1