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

Systemtic Name: 4-[6-chloranyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(p-toluidino)ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C22H29ClN6O2S MolecularWeight: 477.02266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C22H29ClN6O2S/c1-14(2)24-22(31)29-10-9-28(12-16(29)4)19-11-18(23)26-21(27-19)32-13-20(30)25-17-7-5-15(3)6-8-17/h5-8,11,14,16H,9-10,12-13H2,1-4H3,(H,24,31)(H,25,30)