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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCCCCC3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-14-18(15-6-8-16(22)9-7-15)19-20(28-14)23-13-25(21(19)27)12-17(26)24-10-4-2-3-5-11-24/h6-9,13H,2-5,10-12H2,1H3