2-naphthalen-1-ylethanoic acid; N-(phenylmethyl)-7H-purin-6-amine

Systemtic Name: 2-naphthalen-1-ylethanoic acid; N-(phenylmethyl)-7H-purin-6-amine Openeye Name: N-benzyl-7H-purin-6-amine; 2-(1-naphthyl)acetic acid CAS Name: 2-(1-naphthalenyl)acetic acid; N-(phenylmethyl)-7H-purin-6-amine IUPAC Name: N-benzyl-7H-purin-6-amine; 2-naphthalen-1-ylacetic acid Traditional Name: benzyl(7H-purin-6-yl)amine; 2-(1-naphthyl)acetic acid Formula: C24H21N5O2 MolecularWeight: 411.45584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.C1=CC=C2C(=C1)C=CC=C2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3.C1=CC=C2C(=C1)C=CC=C2CC(=O)O

InChI

InChI=1S/C12H11N5.C12H10O2/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11;13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-5,7-8H,6H2,(H2,13,14,15,16,17);1-7H,8H2,(H,13,14)