3-[8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-[(4-fluorophenyl)methyl]-2-(4-methyl-1-piperazinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[8-(4-fluorobenzyl)-7-keto-2-(4-methylpiperazino)pteridin-6-yl]benzonitrile Formula: C25H22FN7O MolecularWeight: 455.486883

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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)C#N)CC5=CC=C(C=C5)F

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CC=CC(=C4)C#N)CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN7O/c1-31-9-11-32(12-10-31)25-28-15-21-23(30-25)33(16-17-5-7-20(26)8-6-17)24(34)22(29-21)19-4-2-3-18(13-19)14-27/h2-8,13,15H,9-12,16H2,1H3