6-hexyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-hexyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-4-5-6-10-13-25-16(15-11-8-7-9-12-15)14-26-17-18(22-20(25)26)23(2)21(28)24(3)19(17)27/h7-9,11-12,14H,4-6,10,13H2,1-3H3