2-azanyl-8-benzo[b]pyren-6-yl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-benzo[b]pyren-6-yl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-benzo[b]pyren-6-yl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-(6-benzo[b]pyrenyl)-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-benzo[b]pyren-6-yl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-benzo[b]pyren-6-yl-3,7-dihydropurin-6-one Formula: C25H15N5O MolecularWeight: 401.4195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2C5=NC6=C(N5)C(=O)N=C(N6)N)C=CC7=CC=CC(=C74)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2C5=NC6=C(N5)C(=O)N=C(N6)N)C=CC7=CC=CC(=C74)C=C3

InChI

InChI=1S/C25H15N5O/c26-25-29-23-21(24(31)30-25)27-22(28-23)20-15-7-2-1-6-14(15)16-10-8-12-4-3-5-13-9-11-17(20)19(16)18(12)13/h1-11H,(H4,26,27,28,29,30,31)