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

Systemtic Name: (4-acetamidophenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate Openeye Name: (4-acetamidophenyl) 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-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 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-acetamidophenyl) ester Formula: C22H20N8O4 MolecularWeight: 460.4454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)N(C)N=NC2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)N(C)/N=N/C2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C22H20N8O4/c1-14(31)25-16-8-10-17(11-9-16)34-22(32)30(2)29-28-21-26-19-18(23-13-24-19)20(27-21)33-12-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,31)(H,23,24,26,27)/b29-28+