2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-1,3-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-1,3-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-dihydroxy-anthracene-9,10-dione CAS Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-dihydroxyanthracene-9,10-dione IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-1,3-dihydroxyanthracene-9,10-dione Traditional Name: 2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-1,3-dihydroxy-9,10-anthraquinone Formula: C20H13N5O5 MolecularWeight: 403.34772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CN4C=NC5=C4NC(=NC5=O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CN4C=NC5=C4NC(=NC5=O)N)O

InChI

InChI=1S/C20H13N5O5/c21-20-23-18-14(19(30)24-20)22-7-25(18)6-11-12(26)5-10-13(17(11)29)16(28)9-4-2-1-3-8(9)15(10)27/h1-5,7,26,29H,6H2,(H3,21,23,24,30)