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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=CC=C4O)C)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=CC=C4O)C)C)N(C1=O)C

InChI

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