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

Systemtic Name: 1-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea Openeye Name: 1-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea CAS Name: 1-(4-chloro-6-methoxy-2-pyrimidinyl)-3-[1-(1-pyrrolidinylsulfonyl)ethylsulfonyl]urea IUPAC Name: 1-(4-chloro-6-methoxypyrimidin-2-yl)-3-(1-pyrrolidin-1-ylsulfonylethylsulfonyl)urea Traditional Name: 1-(4-chloro-6-methoxy-pyrimidin-2-yl)-3-(1-pyrrolidinosulfonylethylsulfonyl)urea Formula: C12H18ClN5O6S2 MolecularWeight: 427.88422

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Descriptors Computed from Structure

Canonical SMILES:

CC(S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)Cl)OC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)Cl)OC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C12H18ClN5O6S2/c1-8(26(22,23)18-5-3-4-6-18)25(20,21)17-12(19)16-11-14-9(13)7-10(15-11)24-2/h7-8H,3-6H2,1-2H3,(H2,14,15,16,17,19)