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

Systemtic Name: 9-(3-chlorophenyl)-8-oxidanylidene-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 2-(4-benzyloxyphenyl)-9-(3-chlorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(3-chlorophenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(3-chlorophenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 2-(4-benzoxyphenyl)-9-(3-chlorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C25H18ClN5O3 MolecularWeight: 471.89512

Click to see the large picture

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(=CC=C5)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(=CC=C5)Cl)C(=O)N

InChI

InChI=1S/C25H18ClN5O3/c26-17-7-4-8-18(13-17)31-24-21(29-25(31)33)20(22(27)32)28-23(30-24)16-9-11-19(12-10-16)34-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,27,32)(H,29,33)