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

Systemtic Name: propyl 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: propyl 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(4-bromophenyl)-6-ethyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-(4-bromophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid propyl ester Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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