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

Systemtic Name: methyl 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-12-17(13-6-8-15(22)9-7-13)18-19(23-11-24-20(18)28-12)25-16-5-3-4-14(10-16)21(26)27-2/h3-11H,1-2H3,(H,23,24,25)