1-(4-chloranyl-6-methyl-pyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea

Systemtic Name: 1-(4-chloranyl-6-methyl-pyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea Openeye Name: 1-(4-chloro-6-methyl-pyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea CAS Name: 1-(4-chloro-6-methyl-2-pyrimidinyl)-3-[1-(1-pyrrolidinylsulfonyl)ethylsulfonyl]urea IUPAC Name: 1-(4-chloro-6-methylpyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea Traditional Name: 1-(4-chloro-6-methyl-pyrimidin-2-yl)-3-(1-pyrrolidinosulfonylethylsulfonyl)urea Formula: C12H18ClN5O5S2 MolecularWeight: 411.88482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C(C)S(=O)(=O)N2CCCC2)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C(C)S(=O)(=O)N2CCCC2)Cl

InChI

InChI=1S/C12H18ClN5O5S2/c1-8-7-10(13)15-11(14-8)16-12(19)17-24(20,21)9(2)25(22,23)18-5-3-4-6-18/h7,9H,3-6H2,1-2H3,(H2,14,15,16,17,19)