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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CCC1=CC=CC=C1CN2C=NC3=C2C(=O)N=C(N3)C4=C(C=CC(=C4)F)F

InChI

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