9-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7-methyl-8-oxidanylidene-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7-methyl-8-oxo-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7-methyl-8-oxo-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-7-methyl-8-oxopurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-8-keto-7-methyl-purine-6-carboxamide Formula: C20H14ClN5O4 MolecularWeight: 423.80926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl)C(=O)N

Isomeric SMILES

CN1C2=C(N=C(N=C2N(C1=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl)C(=O)N

InChI

InChI=1S/C20H14ClN5O4/c1-25-16-15(17(22)27)23-18(10-2-4-11(21)5-3-10)24-19(16)26(20(25)28)12-6-7-13-14(8-12)30-9-29-13/h2-8H,9H2,1H3,(H2,22,27)