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

Systemtic Name: 4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O4S/c1-3-27(4-2)32(29,30)17-12-10-16(11-13-17)23-21-24-19(22)18(26-28)20(25-21)31-14-15-8-6-5-7-9-15/h10-13,15H,3-9,14H2,1-2H3,(H3,22,23,24,25)