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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-(3-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-(3-methoxyphenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-4-pyrimidinyl]-N-(3-methoxyphenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrimidin-4-yl]-N-(3-methoxyphenyl)-2-methylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-(isopropylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-N-(3-methoxyphenyl)-2-methyl-piperazine-1-carboxamide Formula: C22H29ClN6O3S MolecularWeight: 493.02206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN6O3S/c1-14(2)24-20(30)13-33-21-26-18(23)11-19(27-21)28-8-9-29(15(3)12-28)22(31)25-16-6-5-7-17(10-16)32-4/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3,(H,24,30)(H,25,31)