8-azanyl-2-naphthalen-2-yl-purin-6-one hydrate

Systemtic Name: 8-azanyl-2-naphthalen-2-yl-purin-6-one hydrate Openeye Name: 8-amino-2-(2-naphthyl)purin-6-one hydrate CAS Name: 8-amino-2-(2-naphthalenyl)-6-purinone hydrate IUPAC Name: 8-amino-2-naphthalen-2-ylpurin-6-one hydrate Traditional Name: 8-amino-2-(2-naphthyl)purin-6-one hydrate Formula: C15H11N5O2 MolecularWeight: 293.28014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C3=NC(=O)C4=NC(=NC4=N3)N.O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NC(=O)C4=NC(=NC4=N3)N.O

InChI

InChI=1S/C15H9N5O.H2O/c16-15-17-11-13(20-15)18-12(19-14(11)21)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H2,16,18,19,20,21);1H2