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

Systemtic Name: propan-2-yl 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: isopropyl 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid isopropyl ester Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)OC(C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)OC(C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O2S/c1-4-19-20(15-8-10-17(25)11-9-15)21-22(26-13-27-23(21)31-19)28-18-7-5-6-16(12-18)24(29)30-14(2)3/h5-14H,4H2,1-3H3,(H,26,27,28)