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

Systemtic Name: 2-[5-(4-ethylpiperazin-1-yl)-5-oxidanylidene-pentyl]sulfanyl-3,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-one Openeye Name: 2-[5-(4-ethylpiperazin-1-yl)-5-oxo-pentyl]sulfanyl-3,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-one CAS Name: 2-[[5-(4-ethyl-1-piperazinyl)-5-oxopentyl]thio]-3,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinone IUPAC Name: 2-[5-(4-ethylpiperazin-1-yl)-5-oxopentyl]sulfanyl-3,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-one Traditional Name: 2-[[5-(4-ethylpiperazino)-5-keto-pentyl]thio]-3,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-one Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCCSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCCSC2=NC(=C(C(=O)N2C)CC3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H36N4O2S/c1-5-28-13-15-29(16-14-28)23(30)8-6-7-17-32-25-26-20(3)22(24(31)27(25)4)18-21-11-9-19(2)10-12-21/h9-12H,5-8,13-18H2,1-4H3