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

Systemtic Name: 3-[6-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-chlorophenyl)-2-(4-methyl-1-piperazinyl)-7-oxo-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile Traditional Name: 3-[6-(4-chlorophenyl)-7-keto-2-(4-methylpiperazino)pteridin-8-yl]propionitrile Formula: C20H20ClN7O MolecularWeight: 409.8721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN7O/c1-26-9-11-27(12-10-26)20-23-13-16-18(25-20)28(8-2-7-22)19(29)17(24-16)14-3-5-15(21)6-4-14/h3-6,13H,2,8-12H2,1H3