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

Systemtic Name: 4-methyl-2-(3-methylbutyl)-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-isopentyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-(3-methylbutyl)-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-(3-methylbutyl)-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-isoamyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C25H27N5O3/c1-17(2)13-14-30-23(31)21-22(27(3)25(30)32)26-24-28(15-16-29(21)24)18-9-11-20(12-10-18)33-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3