1-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-N-(phenylmethyl)-7H-purine-8-carboxamide

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-N-(phenylmethyl)-7H-purine-8-carboxamide Openeye Name: N-benzyl-1-[(3,4-difluorophenyl)methyl]-6-oxo-7H-purine-8-carboxamide CAS Name: 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-(phenylmethyl)-7H-purine-8-carboxamide IUPAC Name: N-benzyl-1-[(3,4-difluorophenyl)methyl]-6-oxo-7H-purine-8-carboxamide Traditional Name: N-benzyl-1-(3,4-difluorobenzyl)-6-keto-7H-purine-8-carboxamide Formula: C20H15F2N5O2 MolecularWeight: 395.362206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=NC3=C(N2)C(=O)N(C=N3)CC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=NC3=C(N2)C(=O)N(C=N3)CC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C20H15F2N5O2/c21-14-7-6-13(8-15(14)22)10-27-11-24-17-16(20(27)29)25-18(26-17)19(28)23-9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,23,28)(H,25,26)