10-(6-azanylpurin-7-yl)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol

Systemtic Name: 10-(6-azanylpurin-7-yl)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Openeye Name: 10-(6-aminopurin-7-yl)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol CAS Name: 10-(6-amino-7-purinyl)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol IUPAC Name: 10-(6-aminopurin-7-yl)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Traditional Name: 10-(6-aminopurin-7-yl)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9-triol Formula: C25H19N5O3 MolecularWeight: 437.45006

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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(=NC=N7)N)C=C2

Isomeric SMILES

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

InChI

InChI=1S/C25H19N5O3/c26-24-20-25(28-9-27-24)29-10-30(20)19-18-14-7-6-12-3-1-2-11-4-5-13(17(14)16(11)12)8-15(18)21(31)23(33)22(19)32/h1-10,19,21-23,31-33H,(H2,26,27,28)