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

Systemtic Name: 3-[8-methyl-2-(4-methylpiperazin-1-yl)-7-oxidanylidene-pteridin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-methyl-2-(4-methylpiperazin-1-yl)-7-oxo-pteridin-6-yl]benzonitrile CAS Name: 3-[8-methyl-2-(4-methyl-1-piperazinyl)-7-oxo-6-pteridinyl]benzonitrile IUPAC Name: 3-[8-methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-6-yl]benzonitrile Traditional Name: 3-[7-keto-8-methyl-2-(4-methylpiperazino)pteridin-6-yl]benzonitrile Formula: C19H19N7O MolecularWeight: 361.40046

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O/c1-24-6-8-26(9-7-24)19-21-12-15-17(23-19)25(2)18(27)16(22-15)14-5-3-4-13(10-14)11-20/h3-5,10,12H,6-9H2,1-2H3