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

Systemtic Name: (2-bromophenyl)methyl-methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (2-bromophenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (2-bromobenzyl)-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C21H19BrN3OS+ MolecularWeight: 441.36406

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H18BrN3OS/c1-25(12-15-9-5-6-10-17(15)22)13-19-23-20(26)16-11-18(27-21(16)24-19)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,23,24,26)/p+1