5-(4-bromophenyl)-6-ethyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-3-(3-phenoxypropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-ethyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CCCOC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CCCOC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-2-19-20(16-9-11-17(24)12-10-16)21-22(29-19)25-15-26(23(21)27)13-6-14-28-18-7-4-3-5-8-18/h3-5,7-12,15H,2,6,13-14H2,1H3