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

Systemtic Name: 6-(3-chloranyl-2-methyl-phenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-2-methyl-phenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-2-methylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-2-methylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-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=CC=C1Cl)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5

InChI

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