9-(3,4-dichlorophenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(3,4-dichlorophenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(3,4-dichlorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3,4-dichlorophenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(3,4-dichlorophenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-(3,4-dichlorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C25H17Cl2N5O3 MolecularWeight: 506.34018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=C4C(=N3)N(C(=O)N4)C5=CC(=C(C=C5)Cl)Cl)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC(=C4C(=N3)N(C(=O)N4)C5=CC(=C(C=C5)Cl)Cl)C(=O)N

InChI

InChI=1S/C25H17Cl2N5O3/c26-18-11-8-16(12-19(18)27)32-24-21(30-25(32)34)20(22(28)33)29-23(31-24)15-6-9-17(10-7-15)35-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,28,33)(H,30,34)