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

Systemtic Name: 6-cyclohexyl-4-methyl-2-[(3-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclohexyl-4-methyl-2-[(3-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclohexyl-4-methyl-2-[(3-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclohexyl-4-methyl-2-[(3-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclohexyl-4-methyl-2-(3-nitrobenzyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(C4=N2)C5CCCCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(C4=N2)C5CCCCC5

InChI

InChI=1S/C21H24N6O4/c1-23-18-17(25-11-10-24(20(25)22-18)15-7-3-2-4-8-15)19(28)26(21(23)29)13-14-6-5-9-16(12-14)27(30)31/h5-6,9,12,15H,2-4,7-8,10-11,13H2,1H3