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

Systemtic Name: 6-(3-ethoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-ethoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-ethoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-ethoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-ethoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O5/c1-4-31-11-5-10-24-15(13-6-8-14(9-7-13)26(29)30)12-25-16-17(21-19(24)25)22(2)20(28)23(3)18(16)27/h6-9,12H,4-5,10-11H2,1-3H3