6-(5-chloranyl-2-methyl-phenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methyl-phenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methyl-phenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methyl-phenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H22ClN5O3 MolecularWeight: 463.91618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5

InChI

InChI=1S/C24H22ClN5O3/c1-15-9-10-17(25)13-18(15)30-19(16-7-4-3-5-8-16)14-29-20-21(26-23(29)30)27(2)24(33)28(22(20)32)11-6-12-31/h3-5,7-10,13-14,31H,6,11-12H2,1-2H3