8-benzo[b]pyren-6-yl-7H-purin-6-amine

Systemtic Name: 8-benzo[b]pyren-6-yl-7H-purin-6-amine Openeye Name: 8-benzo[b]pyren-6-yl-7H-purin-6-amine CAS Name: 8-(6-benzo[b]pyrenyl)-7H-purin-6-amine IUPAC Name: 8-benzo[b]pyren-6-yl-7H-purin-6-amine Traditional Name: (8-benzo[b]pyren-6-yl-7H-purin-6-yl)amine Formula: C25H15N5 MolecularWeight: 385.4201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H15N5/c26-23-22-25(28-12-27-23)30-24(29-22)21-16-7-2-1-6-15(16)17-10-8-13-4-3-5-14-9-11-18(21)20(17)19(13)14/h1-12H,(H3,26,27,28,29,30)