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

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxidanylidene-6-phenethyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-6-phenethyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(4-methyl-1-piperazinyl)-7-oxo-6-phenethyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-6-phenethylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(4-methylpiperazino)-6-phenethyl-pteridin-8-yl]propionitrile Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)CCC4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H25N7O/c1-27-12-14-28(15-13-27)22-24-16-19-20(26-22)29(11-5-10-23)21(30)18(25-19)9-8-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-9,11-15H2,1H3