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

Systemtic Name: 2-diethylaminoethyl 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester Formula: C26H27BrN4O2S MolecularWeight: 539.48718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN4O2S/c1-4-31(5-2)14-15-33-26(32)19-8-12-21(13-9-19)30-24-23-22(18-6-10-20(27)11-7-18)17(3)34-25(23)29-16-28-24/h6-13,16H,4-5,14-15H2,1-3H3,(H,28,29,30)