2,4-dimethyl-7-phenyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-7-phenyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-phenyl-6-(3-pyridylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-phenyl-6-(3-pyridinylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-phenyl-6-(pyridin-3-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-phenyl-6-(3-pyridylmethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H18N6O2/c1-24-18-17(19(28)25(2)21(24)29)27-13-16(15-8-4-3-5-9-15)26(20(27)23-18)12-14-7-6-10-22-11-14/h3-11,13H,12H2,1-2H3