ethyl 2-[[[6-methyl-2-(phenylsulfonylcarbamoylamino)pyrimidin-4-yl]amino]carbamothioylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[[6-methyl-2-(phenylsulfonylcarbamoylamino)pyrimidin-4-yl]amino]carbamothioylsulfanyl]ethanoate Openeye Name: ethyl 2-[[[2-(benzenesulfonylcarbamoylamino)-6-methyl-pyrimidin-4-yl]amino]carbamothioylsulfanyl]acetate CAS Name: 2-[[[[2-[[benzenesulfonamido(oxo)methyl]amino]-6-methyl-4-pyrimidinyl]hydrazo]-sulfanylidenemethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(benzenesulfonylcarbamoylamino)-6-methylpyrimidin-4-yl]amino]carbamothioylsulfanyl]acetate Traditional Name: 2-[[[2-(besylcarbamoylamino)-6-methyl-pyrimidin-4-yl]amino]thiocarbamoylthio]acetic acid ethyl ester Formula: C17H20N6O5S3 MolecularWeight: 484.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=S)NNC1=NC(=NC(=C1)C)NC(=O)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC(=S)NNC1=NC(=NC(=C1)C)NC(=O)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N6O5S3/c1-3-28-14(24)10-30-17(29)22-21-13-9-11(2)18-15(19-13)20-16(25)23-31(26,27)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,22,29)(H3,18,19,20,21,23,25)