8-azanyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)purin-6-one

Systemtic Name: 8-azanyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)purin-6-one Openeye Name: 8-amino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)purin-6-one CAS Name: 8-amino-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-6-purinone IUPAC Name: 8-amino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)purin-6-one Traditional Name: 8-amino-2-(4-ketocyclohexa-2,5-dien-1-ylidene)purin-6-one Formula: C11H7N5O2 MolecularWeight: 241.20558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

C1=CC(=O)C=CC1=C2NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C11H7N5O2/c12-11-13-7-9(16-11)14-8(15-10(7)18)5-1-3-6(17)4-2-5/h1-4H,(H,15,18)(H2,12,14,16)