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

Systemtic Name: butyl 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O2S/c1-2-3-11-29-23(28)16-5-4-6-18(12-16)27-21-20-19(13-30-22(20)26-14-25-21)15-7-9-17(24)10-8-15/h4-10,12-14H,2-3,11H2,1H3,(H,25,26,27)