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

Systemtic Name: 4-methyl-6-(3-methylphenyl)-2-(3-oxidanylpropyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-4-methyl-6-(m-tolyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4-methyl-6-(3-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4-methyl-6-(3-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-4-methyl-6-(m-tolyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO

InChI

InChI=1S/C18H21N5O3/c1-12-5-3-6-13(11-12)21-8-9-22-14-15(19-17(21)22)20(2)18(26)23(16(14)25)7-4-10-24/h3,5-6,11,24H,4,7-10H2,1-2H3