4-[[6-(cyclohex-3-en-1-ylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[6-(cyclohex-3-en-1-ylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(cyclohex-3-en-1-ylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[6-(1-cyclohex-3-enylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide IUPAC Name: 4-[[6-(cyclohex-3-en-1-ylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[6-(cyclohex-3-en-1-ylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CC(CC=C1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H20N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h1-2,6-9,11-12H,3-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)