2-[2-azanyl-8-(diphenylcarbamoyl)-6-oxidanylidene-3H-purin-9-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-8-(diphenylcarbamoyl)-6-oxidanylidene-3H-purin-9-yl]ethanoic acid Openeye Name: 2-[2-amino-8-(diphenylcarbamoyl)-6-oxo-3H-purin-9-yl]acetic acid CAS Name: 2-[2-amino-6-oxo-8-[oxo-(N-phenylanilino)methyl]-3H-purin-9-yl]acetic acid IUPAC Name: 2-[2-amino-8-(diphenylcarbamoyl)-6-oxo-3H-purin-9-yl]acetic acid Traditional Name: 2-[2-amino-8-(diphenylcarbamoyl)-6-keto-3H-purin-9-yl]acetic acid Formula: C20H16N6O4 MolecularWeight: 404.37884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=NC4=C(N3CC(=O)O)NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)C3=NC4=C(N3CC(=O)O)NC(=NC4=O)N

InChI

InChI=1S/C20H16N6O4/c21-20-23-16-15(18(29)24-20)22-17(25(16)11-14(27)28)19(30)26(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,27,28)(H3,21,23,24,29)