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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C20H19BrN3OS2+ MolecularWeight: 461.41836

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C20H18BrN3OS2/c1-2-24(11-14-8-9-17(21)26-14)12-18-22-19(25)15-10-16(27-20(15)23-18)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,22,23,25)/p+1