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

Systemtic Name: 6-(4-butylphenyl)-4,7-dimethyl-2-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C

InChI

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