5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl)sulfanyl-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-oxidanylidene-1-pyrrolidin-1-yl-pentan-2-yl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[1-(pyrrolidine-1-carbonyl)butylsulfanyl]pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[[1-oxo-1-(1-pyrrolidinyl)pentan-2-yl]thio]-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(1-oxo-1-pyrrolidin-1-ylpentan-2-yl)sulfanylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-3,6-dimethyl-2-[1-(pyrrolidine-1-carbonyl)butylthio]pyrimidin-4-one Formula: C22H28BrN3O2S MolecularWeight: 478.44562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)N1CCCC1)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H28BrN3O2S/c1-4-7-19(21(28)26-12-5-6-13-26)29-22-24-15(2)18(20(27)25(22)3)14-16-8-10-17(23)11-9-16/h8-11,19H,4-7,12-14H2,1-3H3