3-[[2-azanyl-7-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-azanyl-7-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-3-yl]methyl]benzoic acid Openeye Name: 3-[[2-amino-7-(2-naphthylmethyl)-6-oxo-purin-3-yl]methyl]benzoic acid CAS Name: 3-[[2-amino-7-(2-naphthalenylmethyl)-6-oxo-3-purinyl]methyl]benzoic acid IUPAC Name: 3-[[2-amino-7-(naphthalen-2-ylmethyl)-6-oxopurin-3-yl]methyl]benzoic acid Traditional Name: 3-[[2-amino-6-keto-7-(2-naphthylmethyl)purin-3-yl]methyl]benzoic acid Formula: C24H19N5O3 MolecularWeight: 425.43936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=CC(=C5)C(=O)O)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C=NC4=C3C(=O)N=C(N4CC5=CC=CC(=C5)C(=O)O)N

InChI

InChI=1S/C24H19N5O3/c25-24-27-22(30)20-21(29(24)13-15-4-3-7-19(11-15)23(31)32)26-14-28(20)12-16-8-9-17-5-1-2-6-18(17)10-16/h1-11,14H,12-13H2,(H,31,32)(H2,25,27,30)