4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-chloranyl-2-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide Openeye Name: 4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-2-methyl-N-(m-tolyl)piperazine-1-carboxamide CAS Name: 4-[2-[[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]thio]-6-chloro-4-pyrimidinyl]-2-methyl-N-(3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[2-[[2-(4-acetylpiperazino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-2-methyl-N-(m-tolyl)piperazine-1-carboxamide Formula: C25H32ClN7O3S MolecularWeight: 546.08468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C(=O)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=CC(=C2)C)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C(=O)C)Cl

InChI

InChI=1S/C25H32ClN7O3S/c1-17-5-4-6-20(13-17)27-25(36)33-12-11-32(15-18(33)2)22-14-21(26)28-24(29-22)37-16-23(35)31-9-7-30(8-10-31)19(3)34/h4-6,13-14,18H,7-12,15-16H2,1-3H3,(H,27,36)