4-[[2-azanyl-3-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-7-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-azanyl-3-(naphthalen-2-ylmethyl)-6-oxidanylidene-purin-7-yl]methyl]benzoic acid Openeye Name: 4-[[2-amino-3-(2-naphthylmethyl)-6-oxo-purin-7-yl]methyl]benzoic acid CAS Name: 4-[[2-amino-3-(2-naphthalenylmethyl)-6-oxo-7-purinyl]methyl]benzoic acid IUPAC Name: 4-[[2-amino-3-(naphthalen-2-ylmethyl)-6-oxopurin-7-yl]methyl]benzoic acid Traditional Name: 4-[[2-amino-6-keto-3-(2-naphthylmethyl)purin-7-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)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C(=O)N=C3N)N(C=N4)CC5=CC=C(C=C5)C(=O)O

InChI

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