9-(4-chlorophenyl)-8-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-(4-chlorophenyl)-8-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Openeye Name: 9-(4-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide CAS Name: 9-(4-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-(4-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Traditional Name: 9-(4-chlorophenyl)-8-keto-2-(3,4,5-trimethoxyphenyl)-7H-purine-6-carboxamide Formula: C21H18ClN5O5 MolecularWeight: 455.85112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C21H18ClN5O5/c1-30-13-8-10(9-14(31-2)17(13)32-3)19-24-15(18(23)28)16-20(26-19)27(21(29)25-16)12-6-4-11(22)5-7-12/h4-9H,1-3H3,(H2,23,28)(H,25,29)