methyl 4-[methyl-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamoyl]oxybenzoate

Systemtic Name: methyl 4-[methyl-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamoyl]oxybenzoate Openeye Name: methyl 4-[[(E)-(6-benzyloxy-7H-purin-2-yl)azo]-methyl-carbamoyl]oxybenzoate CAS Name: 4-[[methyl-[(E)-(6-phenylmethoxy-7H-purin-2-yl)azo]amino]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[methyl-[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]carbamoyl]oxybenzoate Traditional Name: 4-[[(E)-(6-benzoxy-7H-purin-2-yl)azo]-methyl-carbamoyl]oxybenzoic acid methyl ester Formula: C22H19N7O5 MolecularWeight: 461.43016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O5/c1-29(22(31)34-16-10-8-15(9-11-16)20(30)32-2)28-27-21-25-18-17(23-13-24-18)19(26-21)33-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,24,25,26)/b28-27+