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

Systemtic Name: 6-(3-methoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-methoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-methoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-methoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-methoxypropyl)-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C19H20N6O5 MolecularWeight: 412.3993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCOC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCOC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O5/c1-21-16-15(17(26)22(2)19(21)27)24-11-14(12-5-7-13(8-6-12)25(28)29)23(18(24)20-16)9-4-10-30-3/h5-8,11H,4,9-10H2,1-3H3