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

Systemtic Name: 6-(4-butylphenyl)-4-methyl-2-(3-oxidanylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-butylphenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO

InChI

InChI=1S/C21H27N5O3/c1-3-4-6-15-7-9-16(10-8-15)24-12-13-25-17-18(22-20(24)25)23(2)21(29)26(19(17)28)11-5-14-27/h7-10,27H,3-6,11-14H2,1-2H3