6-(pyren-1-ylmethylamino)-1H-pyrimidin-2-one

Systemtic Name: 6-(pyren-1-ylmethylamino)-1H-pyrimidin-2-one Openeye Name: 6-(pyren-1-ylmethylamino)-1H-pyrimidin-2-one CAS Name: 6-(1-pyrenylmethylamino)-1H-pyrimidin-2-one IUPAC Name: 6-(pyren-1-ylmethylamino)-1H-pyrimidin-2-one Traditional Name: 6-(pyren-1-ylmethylamino)-1H-pyrimidin-2-one Formula: C21H15N3O MolecularWeight: 325.3633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC5=CC=NC(=O)N5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC5=CC=NC(=O)N5

InChI

InChI=1S/C21H15N3O/c25-21-22-11-10-18(24-21)23-12-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)20(15)19(13)14/h1-11H,12H2,(H2,22,23,24,25)