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

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-butyl-4-[6-chloro-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C24H33ClN6O2S MolecularWeight: 505.07582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H33ClN6O2S/c1-3-4-11-27-24(33)31-14-13-30(16-18(31)2)21-15-20(25)28-23(29-21)34-17-22(32)26-12-10-19-8-6-5-7-9-19/h5-9,15,18H,3-4,10-14,16-17H2,1-2H3,(H,26,32)(H,27,33)