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

Systemtic Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-oxidanylidene-5-piperidin-1-yl-pentyl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[5-oxo-5-(1-piperidyl)pentyl]sulfanyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-[[5-oxo-5-(1-piperidinyl)pentyl]thio]-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-3,6-dimethyl-2-(5-oxo-5-piperidin-1-ylpentyl)sulfanylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[(5-keto-5-piperidino-pentyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C23H30BrN3O2S MolecularWeight: 492.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCCCC2)C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCCC(=O)N2CCCCC2)C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H30BrN3O2S/c1-17-20(16-18-9-11-19(24)12-10-18)22(29)26(2)23(25-17)30-15-7-4-8-21(28)27-13-5-3-6-14-27/h9-12H,3-8,13-16H2,1-2H3