2-[2,5-bis(fluoranyl)phenyl]-7-[(3,5-dimethylphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]-7-[(3,5-dimethylphenyl)methyl]-3H-purin-6-one Openeye Name: 2-(2,5-difluorophenyl)-7-[(3,5-dimethylphenyl)methyl]-3H-purin-6-one CAS Name: 2-(2,5-difluorophenyl)-7-[(3,5-dimethylphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-(2,5-difluorophenyl)-7-[(3,5-dimethylphenyl)methyl]-3H-purin-6-one Traditional Name: 2-(2,5-difluorophenyl)-7-(3,5-dimethylbenzyl)-3H-purin-6-one Formula: C20H16F2N4O MolecularWeight: 366.364046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F)C

InChI

InChI=1S/C20H16F2N4O/c1-11-5-12(2)7-13(6-11)9-26-10-23-19-17(26)20(27)25-18(24-19)15-8-14(21)3-4-16(15)22/h3-8,10H,9H2,1-2H3,(H,24,25,27)