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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-6-oxidanylidene-N-(pyridin-4-ylmethyl)-7H-purine-8-carboxamide Openeye Name: 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-(4-pyridylmethyl)-7H-purine-8-carboxamide CAS Name: 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-(pyridin-4-ylmethyl)-7H-purine-8-carboxamide IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-6-oxo-N-(pyridin-4-ylmethyl)-7H-purine-8-carboxamide Traditional Name: 1-(3,4-difluorobenzyl)-6-keto-N-(4-pyridylmethyl)-7H-purine-8-carboxamide Formula: C19H14F2N6O2 MolecularWeight: 396.350266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=NC3=C(C2=O)NC(=N3)C(=O)NCC4=CC=NC=C4)F)F

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC3=C(C2=O)NC(=N3)C(=O)NCC4=CC=NC=C4)F)F

InChI

InChI=1S/C19H14F2N6O2/c20-13-2-1-12(7-14(13)21)9-27-10-24-16-15(19(27)29)25-17(26-16)18(28)23-8-11-3-5-22-6-4-11/h1-7,10H,8-9H2,(H,23,28)(H,25,26)