5-(4-bromophenyl)-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-3-[2-keto-2-(4-methylpiperidino)ethyl]-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-13-7-9-24(10-8-13)17(26)11-25-12-23-20-19(21(25)27)18(14(2)28-20)15-3-5-16(22)6-4-15/h3-6,12-13H,7-11H2,1-2H3