2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)Br)C

InChI

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