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

Systemtic Name: (4-aminocarbonylphenyl) N-methyl-N-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamate Openeye Name: (4-carbamoylphenyl) 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-carbamoylphenyl) ester IUPAC Name: (4-carbamoylphenyl) 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-carbamoylphenyl) ester Formula: C21H18N8O4 MolecularWeight: 446.41882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N8O4/c1-29(21(31)33-15-9-7-14(8-10-15)17(22)30)28-27-20-25-18-16(23-12-24-18)19(26-20)32-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,22,30)(H,23,24,25,26)/b28-27+