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

Systemtic Name: 2,4-dimethyl-7-(4-methylphenyl)-6-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-hydroxypropyl)-2,4-dimethyl-7-(p-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCCO)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCCO)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C19H21N5O3/c1-12-5-7-13(8-6-12)14-11-24-15-16(20-18(24)23(14)9-4-10-25)21(2)19(27)22(3)17(15)26/h5-8,11,25H,4,9-10H2,1-3H3