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

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-2-[1-(4-ethylpiperazine-1-carbonyl)butylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-2-[[1-(4-ethyl-1-piperazinyl)-1-oxopentan-2-yl]thio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-2-[1-(4-ethylpiperazin-1-yl)-1-oxopentan-2-yl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[1-(4-ethylpiperazine-1-carbonyl)butylthio]-3,6-dimethyl-pyrimidin-4-one Formula: C24H33BrN4O2S MolecularWeight: 521.51342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCN(CC1)CC)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC(C(=O)N1CCN(CC1)CC)SC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H33BrN4O2S/c1-5-7-21(23(31)29-14-12-28(6-2)13-15-29)32-24-26-17(3)20(22(30)27(24)4)16-18-8-10-19(25)11-9-18/h8-11,21H,5-7,12-16H2,1-4H3