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

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-2-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3,6-dimethyl-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-2-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 5-[(4-bromophenyl)methyl]-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3,6-dimethylpyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]-3,6-dimethyl-pyrimidin-4-one Formula: C21H27BrN4O2S MolecularWeight: 479.43368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H27BrN4O2S/c1-4-25-9-11-26(12-10-25)19(27)14-29-21-23-15(2)18(20(28)24(21)3)13-16-5-7-17(22)8-6-16/h5-8H,4,9-14H2,1-3H3