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

Systemtic Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-oxidanylidene-5-pyrrolidin-1-yl-pentyl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-oxo-5-pyrrolidin-1-yl-pentyl)sulfanyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[[5-oxo-5-(1-pyrrolidinyl)pentyl]thio]-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-oxo-5-pyrrolidin-1-ylpentyl)sulfanylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[(5-keto-5-pyrrolidino-pentyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H28BrN3O2S MolecularWeight: 478.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCCC2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCCC2)C)CC3=CC=C(C=C3)Br

InChI

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