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

Systemtic Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoate IUPAC Name: 3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Formula: C20H13BrN3O2S- MolecularWeight: 439.30512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrN3O2S/c1-11-16(12-5-7-14(21)8-6-12)17-18(22-10-23-19(17)27-11)24-15-4-2-3-13(9-15)20(25)26/h2-10H,1H3,(H,25,26)(H,22,23,24)/p-1