2-[[(4-bromophenyl)methyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[[(4-bromophenyl)methyl-methyl-azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[(4-bromophenyl)methyl-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[(4-bromophenyl)methyl-methylammonio]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[(4-bromophenyl)methyl-methylazaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[(4-bromobenzyl)-methyl-ammonio]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C15H14BrN3OS MolecularWeight: 364.26016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC2=NC3=C(C(=N2)[O-])SC=C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC2=NC3=C(C(=N2)[O-])SC=C3

InChI

InChI=1S/C15H14BrN3OS/c1-19(8-10-2-4-11(16)5-3-10)9-13-17-12-6-7-21-14(12)15(20)18-13/h2-7H,8-9H2,1H3,(H,17,18,20)