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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-chloropyrimidin-4-yl]-N-butyl-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide Formula: C23H31ClN6O2S MolecularWeight: 491.04924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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