6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-pentyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2,5-dimethoxyphenyl)-4,7-dimethyl-2-pentylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-6-(2,5-dimethoxyphenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=C(C=CC(=C4)OC)OC)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=C(C=CC(=C4)OC)OC)C)N(C1=O)C

InChI

InChI=1S/C22H27N5O4/c1-6-7-8-11-25-20(28)18-19(24(3)22(25)29)23-21-26(18)13-14(2)27(21)16-12-15(30-4)9-10-17(16)31-5/h9-10,12-13H,6-8,11H2,1-5H3