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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: 4-[6-chloro-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[6-chloro-2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: 4-[6-chloro-2-[[2-keto-2-(1-phenylethylamino)ethyl]thio]pyrimidin-4-yl]-N-isopropyl-2-methyl-piperazine-1-carboxamide Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN6O2S/c1-15(2)25-23(32)30-11-10-29(13-16(30)3)20-12-19(24)27-22(28-20)33-14-21(31)26-17(4)18-8-6-5-7-9-18/h5-9,12,15-17H,10-11,13-14H2,1-4H3,(H,25,32)(H,26,31)