(4-sulfamoylphenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate

Systemtic Name: (4-sulfamoylphenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate Openeye Name: (4-sulfamoylphenyl) N-[(E)-(6-benzyloxy-7H-purin-2-yl)azo]-N-methyl-carbamate CAS Name: N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)azo]carbamic acid (4-sulfamoylphenyl) ester IUPAC Name: (4-sulfamoylphenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate Traditional Name: N-[(E)-(6-benzoxy-7H-purin-2-yl)azo]-N-methyl-carbamic acid (4-sulfamoylphenyl) ester Formula: C20H18N8O5S MolecularWeight: 482.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OC1=CC=C(C=C1)S(=O)(=O)N)N=NC2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CN(C(=O)OC1=CC=C(C=C1)S(=O)(=O)N)/N=N/C2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C20H18N8O5S/c1-28(20(29)33-14-7-9-15(10-8-14)34(21,30)31)27-26-19-24-17-16(22-12-23-17)18(25-19)32-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,21,30,31)(H,22,23,24,25)/b27-26+