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

Systemtic Name: butyl 3-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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