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

Systemtic Name: 3-[8-(2-cyanoethyl)-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-cyanoethyl)-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-(2-cyanoethyl)-2-(4-methyl-1-piperazinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-(2-cyanoethyl)-2-(4-methylpiperazin-1-yl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[8-(2-cyanoethyl)-7-keto-2-(4-methylpiperazino)pteridin-6-yl]benzonitrile Formula: C21H20N8O MolecularWeight: 400.4365

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N8O/c1-27-8-10-28(11-9-27)21-24-14-17-19(26-21)29(7-3-6-22)20(30)18(25-17)16-5-2-4-15(12-16)13-23/h2,4-5,12,14H,3,7-11H2,1H3