2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-[(3-phenylmethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]-N-[(3-phenylmethoxyphenyl)methylideneamino]ethanamide Openeye Name: N-[(3-benzyloxyphenyl)methyleneamino]-2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(3-benzoxybenzylidene)amino]-2-(2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetamide Formula: C23H23N6O4+ MolecularWeight: 447.46652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=CN2)CC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N6O4/c1-27-21-20(22(31)28(2)23(27)32)29(15-24-21)13-19(30)26-25-12-17-9-6-10-18(11-17)33-14-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3,(H,26,30)/p+1