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

Systemtic Name: 2,4,7,8-tetramethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4,7,8-tetramethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4,7,8-tetramethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4,7,8-tetramethyl-6-(2-pentoxyphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-amoxyphenyl)-2,4,7,8-tetramethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)C)C)C

InChI

InChI=1S/C22H27N5O3/c1-6-7-10-13-30-17-12-9-8-11-16(17)26-14(2)15(3)27-18-19(23-21(26)27)24(4)22(29)25(5)20(18)28/h8-9,11-12H,6-7,10,13H2,1-5H3