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

Systemtic Name: 6-cyclopentyl-4-methyl-2-[(4-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-4-methyl-2-[(4-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-4-methyl-2-[(4-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-4-methyl-2-[(4-nitrophenyl)methyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-4-methyl-2-(4-nitrobenzyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(C4=N2)C5CCCC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(C4=N2)C5CCCC5

InChI

InChI=1S/C20H22N6O4/c1-22-17-16(24-11-10-23(19(24)21-17)14-4-2-3-5-14)18(27)25(20(22)28)12-13-6-8-15(9-7-13)26(29)30/h6-9,14H,2-5,10-12H2,1H3