2-azanyl-7-[7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]-3H-purin-6-one Openeye Name: 2-amino-7-(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)-3H-purin-6-one CAS Name: 2-amino-7-(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)-3H-purin-6-one IUPAC Name: 2-amino-7-(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)-3H-purin-6-one Traditional Name: 2-amino-7-(7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl)-3H-purin-6-one Formula: C25H19N5O4 MolecularWeight: 453.44946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)O)N6C=NC7=C6C(=O)N=C(N7)N)C=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)O)N6C=NC7=C6C(=O)N=C(N7)N)C=C2

InChI

InChI=1S/C25H19N5O4/c26-25-28-23-19(24(34)29-25)30(9-27-23)18-17-13-7-6-11-3-1-2-10-4-5-12(16(13)15(10)11)8-14(17)20(31)22(33)21(18)32/h1-9,18,20-22,31-33H,(H3,26,28,29,34)