6-(3-imidazol-1-ylpropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(3-imidazol-1-ylpropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-imidazol-1-ylpropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[3-(1-imidazolyl)propyl]-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-imidazol-1-ylpropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-imidazol-1-ylpropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CCCN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C=C(N(C3=N2)CCCN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C20H19N7O2/c1-24-17-16(18(28)23-20(24)29)27-12-15(14-6-3-2-4-7-14)26(19(27)22-17)10-5-9-25-11-8-21-13-25/h2-4,6-8,11-13H,5,9-10H2,1H3,(H,23,28,29)