4-methyl-2-(3-methylbutyl)-6-(3-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-2-(3-methylbutyl)-6-(3-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isopentyl-4-methyl-6-(m-tolyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-(3-methylbutyl)-6-(3-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-(3-methylbutyl)-6-(3-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-4-methyl-6-(m-tolyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC(C)C

InChI

InChI=1S/C20H25N5O2/c1-13(2)8-9-25-18(26)16-17(22(4)20(25)27)21-19-23(10-11-24(16)19)15-7-5-6-14(3)12-15/h5-7,12-13H,8-11H2,1-4H3