2-azanyl-8-pyren-1-yl-3,7-dihydropurin-6-one

Systemtic Name: 2-azanyl-8-pyren-1-yl-3,7-dihydropurin-6-one Openeye Name: 2-amino-8-pyren-1-yl-3,7-dihydropurin-6-one CAS Name: 2-amino-8-(1-pyrenyl)-3,7-dihydropurin-6-one IUPAC Name: 2-amino-8-pyren-1-yl-3,7-dihydropurin-6-one Traditional Name: 2-amino-8-pyren-1-yl-3,7-dihydropurin-6-one Formula: C21H13N5O MolecularWeight: 351.36082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=NC6=C(N5)C(=O)N=C(N6)N

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=NC6=C(N5)C(=O)N=C(N6)N

InChI

InChI=1S/C21H13N5O/c22-21-25-19-17(20(27)26-21)23-18(24-19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,(H4,22,23,24,25,26,27)