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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-2-27-21(26)14-4-3-5-16(10-14)25-19-18-17(11-28-20(18)24-12-23-19)13-6-8-15(22)9-7-13/h3-12H,2H2,1H3,(H,23,24,25)