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

Systemtic Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-pentyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-pentylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-(3-nitrophenyl)-6-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-amyl-2,4-dimethyl-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4/c1-4-5-6-10-24-15(13-8-7-9-14(11-13)26(29)30)12-25-16-17(21-19(24)25)22(2)20(28)23(3)18(16)27/h7-9,11-12H,4-6,10H2,1-3H3