6-[3,5-bis(fluoranyl)phenyl]-2-(4-methylpiperazin-1-yl)-8-phenethyl-pteridin-7-one

Systemtic Name: 6-[3,5-bis(fluoranyl)phenyl]-2-(4-methylpiperazin-1-yl)-8-phenethyl-pteridin-7-one Openeye Name: 6-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)-8-phenethyl-pteridin-7-one CAS Name: 6-(3,5-difluorophenyl)-2-(4-methyl-1-piperazinyl)-8-phenethyl-7-pteridinone IUPAC Name: 6-(3,5-difluorophenyl)-2-(4-methylpiperazin-1-yl)-8-phenethylpteridin-7-one Traditional Name: 6-(3,5-difluorophenyl)-2-(4-methylpiperazino)-8-phenethyl-pteridin-7-one Formula: C25H24F2N6O MolecularWeight: 462.494466

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC(=CC(=C4)F)F)CCC5=CC=CC=C5

InChI

InChI=1S/C25H24F2N6O/c1-31-9-11-32(12-10-31)25-28-16-21-23(30-25)33(8-7-17-5-3-2-4-6-17)24(34)22(29-21)18-13-19(26)15-20(27)14-18/h2-6,13-16H,7-12H2,1H3