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

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxidanylidene-6-phenyl-pteridin-8-yl]propanenitrile Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-6-phenyl-pteridin-8-yl]propanenitrile CAS Name: 3-[2-(4-methyl-1-piperazinyl)-7-oxo-6-phenyl-8-pteridinyl]propanenitrile IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)-7-oxo-6-phenylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-2-(4-methylpiperazino)-6-phenyl-pteridin-8-yl]propionitrile Formula: C20H21N7O MolecularWeight: 375.42704

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O/c1-25-10-12-26(13-11-25)20-22-14-16-18(24-20)27(9-5-8-21)19(28)17(23-16)15-6-3-2-4-7-15/h2-4,6-7,14H,5,9-13H2,1H3