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

Systemtic Name: 4,7-dimethyl-6-(2-methylphenyl)-2-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(o-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-hydroxypropyl)-4,7-dimethyl-6-(o-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=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C

InChI

InChI=1S/C19H21N5O3/c1-12-7-4-5-8-14(12)24-13(2)11-23-15-16(20-18(23)24)21(3)19(27)22(17(15)26)9-6-10-25/h4-5,7-8,11,25H,6,9-10H2,1-3H3