2,4,7-trimethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4,7-trimethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4,7-trimethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4,7-trimethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4,7-trimethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-amoxyphenyl)-2,4,7-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C

InChI

InChI=1S/C21H25N5O3/c1-5-6-9-12-29-16-11-8-7-10-15(16)26-14(2)13-25-17-18(22-20(25)26)23(3)21(28)24(4)19(17)27/h7-8,10-11,13H,5-6,9,12H2,1-4H3