2-(8-azanyl-6-oxidanylidene-3,7-dihydropurin-2-yl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-(8-azanyl-6-oxidanylidene-3,7-dihydropurin-2-yl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(8-amino-6-oxo-3,7-dihydropurin-2-yl)-1,4-benzoquinone CAS Name: 2-(8-amino-6-oxo-3,7-dihydropurin-2-yl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(8-amino-6-oxo-3,7-dihydropurin-2-yl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(8-amino-6-keto-3,7-dihydropurin-2-yl)-p-benzoquinone Formula: C11H7N5O3 MolecularWeight: 257.20498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=O)C2=NC(=O)C3=C(N2)N=C(N3)N

Isomeric SMILES

C1=CC(=O)C(=CC1=O)C2=NC(=O)C3=C(N2)N=C(N3)N

InChI

InChI=1S/C11H7N5O3/c12-11-13-7-9(16-11)14-8(15-10(7)19)5-3-4(17)1-2-6(5)18/h1-3H,(H4,12,13,14,15,16,19)