2-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate

Systemtic Name: 2-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]azaniumyl]ethanoate Openeye Name: 2-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate CAS Name: 2-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]ammonio]acetate IUPAC Name: 2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]azaniumyl]acetate Traditional Name: 2-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]ammonio]acetate Formula: C15H12BrN3O2S MolecularWeight: 378.24368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)[NH2+]CC(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)[NH2+]CC(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H12BrN3O2S/c1-8-12(9-2-4-10(16)5-3-9)13-14(17-6-11(20)21)18-7-19-15(13)22-8/h2-5,7H,6H2,1H3,(H,20,21)(H,17,18,19)