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

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-ethyl-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-3-(4-nitrobenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O3S/c1-2-17-18(14-5-7-15(22)8-6-14)19-20(29-17)23-12-24(21(19)26)11-13-3-9-16(10-4-13)25(27)28/h3-10,12H,2,11H2,1H3