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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxidanylidene-2-phenyl-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-phenyl-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-phenyl-6-purinecarboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-phenylpurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-7-methyl-2-phenyl-purine-6-carboxamide Formula: C20H15N5O4 MolecularWeight: 389.3642

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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=CC=C5)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O4/c1-24-16-15(17(21)26)22-18(11-5-3-2-4-6-11)23-19(16)25(20(24)27)12-7-8-13-14(9-12)29-10-28-13/h2-9H,10H2,1H3,(H2,21,26)