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

Systemtic Name: 2-diethylaminoethyl 4-[[5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoate Openeye Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester Formula: C27H29BrN4O2S MolecularWeight: 553.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)C(=O)OCCN(CC)CC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)C(=O)OCCN(CC)CC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H29BrN4O2S/c1-4-22-23(18-7-11-20(28)12-8-18)24-25(29-17-30-26(24)35-22)31-21-13-9-19(10-14-21)27(33)34-16-15-32(5-2)6-3/h7-14,17H,4-6,15-16H2,1-3H3,(H,29,30,31)