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

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-3-(3-oxidanylidenebutan-2-yl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-3-(1-methyl-2-oxo-propyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-3-(3-oxobutan-2-yl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-ethyl-3-(3-oxobutan-2-yl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-3-(2-keto-1-methyl-propyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O2S/c1-4-14-15(12-5-7-13(19)8-6-12)16-17(24-14)20-9-21(18(16)23)10(2)11(3)22/h5-10H,4H2,1-3H3