2-[(6-azanylpurin-3-yl)methyl]-1,3-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 2-[(6-azanylpurin-3-yl)methyl]-1,3-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 2-[(6-aminopurin-3-yl)methyl]-1,3-dihydroxy-anthracene-9,10-dione CAS Name: 2-[(6-amino-3-purinyl)methyl]-1,3-dihydroxyanthracene-9,10-dione IUPAC Name: 2-[(6-aminopurin-3-yl)methyl]-1,3-dihydroxyanthracene-9,10-dione Traditional Name: 2-[(6-aminopurin-3-yl)methyl]-1,3-dihydroxy-9,10-anthraquinone Formula: C20H13N5O4 MolecularWeight: 387.34832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CN4C=NC(=C5C4=NC=N5)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)CN4C=NC(=C5C4=NC=N5)N)O

InChI

InChI=1S/C20H13N5O4/c21-19-15-20(23-7-22-15)25(8-24-19)6-12-13(26)5-11-14(18(12)29)17(28)10-4-2-1-3-9(10)16(11)27/h1-5,7-8,26,29H,6,21H2