6-butyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN2C1=NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=CN2C1=NC3=C2C(=O)NC(=O)N3C)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O2/c1-3-4-10-22-13(12-8-6-5-7-9-12)11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,20,24,25)