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

Systemtic Name: 4-[6-chloranyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide CAS Name: 4-[6-chloro-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-pyrimidinyl]-N-ethyl-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-ethyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-ethyl-2-methyl-piperazine-1-carboxamide Formula: C21H27ClN6O2S MolecularWeight: 462.99608

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H27ClN6O2S/c1-3-23-21(30)28-10-9-27(13-15(28)2)18-11-17(22)25-20(26-18)31-14-19(29)24-12-16-7-5-4-6-8-16/h4-8,11,15H,3,9-10,12-14H2,1-2H3,(H,23,30)(H,24,29)