4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-(2-oxidanylpropyl)benzenesulfonamide

Systemtic Name: 4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-(2-oxidanylpropyl)benzenesulfonamide Openeye Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-(2-hydroxypropyl)benzenesulfonamide CAS Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]-N-(2-hydroxypropyl)benzenesulfonamide IUPAC Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]-N-(2-hydroxypropyl)benzenesulfonamide Traditional Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-(2-hydroxypropyl)benzenesulfonamide Formula: C20H28N6O5S MolecularWeight: 464.53852

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)OCC3CCCCC3)N=O)N)O

Isomeric SMILES

CC(CNS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=N2)OCC3CCCCC3)N=O)N)O

InChI

InChI=1S/C20H28N6O5S/c1-13(27)11-22-32(29,30)16-9-7-15(8-10-16)23-20-24-18(21)17(26-28)19(25-20)31-12-14-5-3-2-4-6-14/h7-10,13-14,22,27H,2-6,11-12H2,1H3,(H3,21,23,24,25)