2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-chloro-6-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-anisoyl-piperazino)pyrimidin-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C25H32ClN5O3S MolecularWeight: 518.07128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(C(C3)C)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32ClN5O3S/c1-17-8-10-29(11-9-17)23(32)16-35-25-27-21(26)14-22(28-25)30-12-13-31(18(2)15-30)24(33)19-4-6-20(34-3)7-5-19/h4-7,14,17-18H,8-13,15-16H2,1-3H3