2-azanyl-7-(diphenylcarbamoyl)-8-methyl-6-oxidanylidene-3,8-dihydropurine-9-carboxylic acid

Systemtic Name: 2-azanyl-7-(diphenylcarbamoyl)-8-methyl-6-oxidanylidene-3,8-dihydropurine-9-carboxylic acid Openeye Name: 2-amino-7-(diphenylcarbamoyl)-8-methyl-6-oxo-3,8-dihydropurine-9-carboxylic acid CAS Name: 2-amino-8-methyl-6-oxo-7-[oxo-(N-phenylanilino)methyl]-3,8-dihydropurine-9-carboxylic acid IUPAC Name: 2-amino-7-(diphenylcarbamoyl)-8-methyl-6-oxo-3,8-dihydropurine-9-carboxylic acid Traditional Name: 2-amino-7-(diphenylcarbamoyl)-6-keto-8-methyl-3,8-dihydropurine-9-carboxylic acid Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(N1C(=O)O)NC(=NC2=O)N)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1N(C2=C(N1C(=O)O)NC(=NC2=O)N)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6O4/c1-12-24(15-16(25(12)20(29)30)22-18(21)23-17(15)27)19(28)26(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,29,30)(H3,21,22,23,27)