3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-9-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-9-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-9-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl]-9-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-9-(3,4-dimethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C24H23ClFN5O2 MolecularWeight: 467.923123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=C(C=CC=C5Cl)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=C(C=CC=C5Cl)F)C

InChI

InChI=1S/C24H23ClFN5O2/c1-14-8-9-16(12-15(14)2)29-10-5-11-30-20-21(27-23(29)30)28(3)24(33)31(22(20)32)13-17-18(25)6-4-7-19(17)26/h4,6-9,12H,5,10-11,13H2,1-3H3