2-hexyl-6-(2-methoxy-5-methyl-phenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-hexyl-6-(2-methoxy-5-methyl-phenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-hexyl-6-(2-methoxy-5-methyl-phenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-hexyl-6-(2-methoxy-5-methylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-hexyl-6-(2-methoxy-5-methylphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-hexyl-6-(2-methoxy-5-methyl-phenyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=C(C=CC(=C4)C)OC)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=C(C=CC(=C4)C)OC)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-5-6-7-8-11-27-20(28)18-19(24(3)22(27)29)23-21-25(12-13-26(18)21)16-14-15(2)9-10-17(16)30-4/h9-10,14H,5-8,11-13H2,1-4H3