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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-methyl-2,6-bis(oxidanylidene)-N-(pyridin-4-ylmethyl)-7H-purine-8-carboxamide Openeye Name: 1-[(3,4-difluorophenyl)methyl]-3-methyl-2,6-dioxo-N-(4-pyridylmethyl)-7H-purine-8-carboxamide CAS Name: 1-[(3,4-difluorophenyl)methyl]-3-methyl-2,6-dioxo-N-(pyridin-4-ylmethyl)-7H-purine-8-carboxamide IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-3-methyl-2,6-dioxo-N-(pyridin-4-ylmethyl)-7H-purine-8-carboxamide Traditional Name: 1-(3,4-difluorobenzyl)-2,6-diketo-3-methyl-N-(4-pyridylmethyl)-7H-purine-8-carboxamide Formula: C20H16F2N6O3 MolecularWeight: 426.376246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F2N6O3/c1-27-17-15(25-16(26-17)18(29)24-9-11-4-6-23-7-5-11)19(30)28(20(27)31)10-12-2-3-13(21)14(22)8-12/h2-8H,9-10H2,1H3,(H,24,29)(H,25,26)