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

Systemtic Name: 4-methyl-2-[(4-nitrophenyl)methyl]-6-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-[(4-nitrophenyl)methyl]-6-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-[(4-nitrophenyl)methyl]-6-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-[(4-nitrophenyl)methyl]-6-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-2-(4-nitrobenzyl)-6-phenethyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C23H22N6O4 MolecularWeight: 446.45858

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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)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(C4=N2)CCC5=CC=CC=C5

InChI

InChI=1S/C23H22N6O4/c1-25-20-19(21(30)28(23(25)31)15-17-7-9-18(10-8-17)29(32)33)27-14-13-26(22(27)24-20)12-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3