1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-methyl-2-oxidanylidene-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-methyl-2-oxidanylidene-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide Openeye Name: 1-[(3,4-difluorophenyl)methyl]-3-methyl-2-oxo-N-(4-pyridylmethyl)-6,7-dihydropurine-8-carboxamide CAS Name: 1-[(3,4-difluorophenyl)methyl]-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-3-methyl-2-oxo-N-(pyridin-4-ylmethyl)-6,7-dihydropurine-8-carboxamide Traditional Name: 1-(3,4-difluorobenzyl)-2-keto-3-methyl-N-(4-pyridylmethyl)-6,7-dihydropurine-8-carboxamide Formula: C20H18F2N6O2 MolecularWeight: 412.392726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CN(C1=O)CC3=CC(=C(C=C3)F)F)NC(=N2)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CN1C2=C(CN(C1=O)CC3=CC(=C(C=C3)F)F)NC(=N2)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C20H18F2N6O2/c1-27-18-16(11-28(20(27)30)10-13-2-3-14(21)15(22)8-13)25-17(26-18)19(29)24-9-12-4-6-23-7-5-12/h2-8H,9-11H2,1H3,(H,24,29)(H,25,26)