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

Systemtic Name: butyl 3-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H24BrN3O2S MolecularWeight: 510.44596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O2S/c1-3-5-13-31-25(30)17-7-6-8-19(14-17)29-23-22-21(16-9-11-18(26)12-10-16)20(4-2)32-24(22)28-15-27-23/h6-12,14-15H,3-5,13H2,1-2H3,(H,27,28,29)