4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[[4-azanyl-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Openeye Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-thiazol-2-yl-benzenesulfonamide CAS Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-2-pyrimidinyl]amino]-N-(2-thiazolyl)benzenesulfonamide IUPAC Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Traditional Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-nitroso-pyrimidin-2-yl]amino]-N-thiazol-2-yl-benzenesulfonamide Formula: C20H23N7O4S2 MolecularWeight: 489.57112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C20H23N7O4S2/c21-17-16(26-28)18(31-12-13-4-2-1-3-5-13)25-19(24-17)23-14-6-8-15(9-7-14)33(29,30)27-20-22-10-11-32-20/h6-11,13H,1-5,12H2,(H,22,27)(H3,21,23,24,25)