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

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxidanylidene-8-phenethyl-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-8-phenethyl-pteridin-6-yl]benzonitrile CAS Name: 3-[2-(4-methyl-1-piperazinyl)-7-oxo-8-phenethyl-6-pteridinyl]benzonitrile IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-8-phenethylpteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-2-(4-methylpiperazino)-8-phenethyl-pteridin-6-yl]benzonitrile Formula: C26H25N7O MolecularWeight: 451.523

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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)CCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H25N7O/c1-31-12-14-32(15-13-31)26-28-18-22-24(30-26)33(11-10-19-6-3-2-4-7-19)25(34)23(29-22)21-9-5-8-20(16-21)17-27/h2-9,16,18H,10-15H2,1H3