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

Systemtic Name: ethyl 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O2S/c1-3-28-22(27)15-6-10-17(11-7-15)26-20-19-18(14-4-8-16(23)9-5-14)13(2)29-21(19)25-12-24-20/h4-12H,3H2,1-2H3,(H,24,25,26)