2,4-dimethyl-7-(3-nitrophenyl)-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-isopropyl-2,4-dimethyl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-isopropyl-2,4-dimethyl-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4/c1-10(2)23-13(11-6-5-7-12(8-11)24(27)28)9-22-14-15(19-17(22)23)20(3)18(26)21(4)16(14)25/h5-10H,1-4H3