3-benzo[b]pyren-6-ylpurin-6-amine

Systemtic Name: 3-benzo[b]pyren-6-ylpurin-6-amine Openeye Name: 3-benzo[b]pyren-6-ylpurin-6-amine CAS Name: 3-(6-benzo[b]pyrenyl)-6-purinamine IUPAC Name: 3-benzo[b]pyren-6-ylpurin-6-amine Traditional Name: (3-benzo[b]pyren-6-ylpurin-6-yl)amine Formula: C25H15N5 MolecularWeight: 385.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C2N5C=NC(=C6C5=NC=N6)N)C=CC7=CC=CC(=C74)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C2N5C=NC(=C6C5=NC=N6)N)C=CC7=CC=CC(=C74)C=C3

InChI

InChI=1S/C25H15N5/c26-24-22-25(28-12-27-22)30(13-29-24)23-18-7-2-1-6-16(18)17-10-8-14-4-3-5-15-9-11-19(23)21(17)20(14)15/h1-13H,26H2