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

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethyl]-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15BrN2O2S MolecularWeight: 439.325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H15BrN2O2S/c1-13-18(15-5-3-2-4-6-15)19-20(27-13)23-12-24(21(19)26)11-17(25)14-7-9-16(22)10-8-14/h2-10,12H,11H2,1H3