4-[[azanyl-(3-azanyl-2-oxidanylidene-piperidin-1-yl)phosphoryl]amino]benzenecarbonitrile

Systemtic Name: 4-[[azanyl-(3-azanyl-2-oxidanylidene-piperidin-1-yl)phosphoryl]amino]benzenecarbonitrile Openeye Name: 4-[[amino-(3-amino-2-oxo-1-piperidyl)phosphoryl]amino]benzonitrile CAS Name: 4-[[amino-(3-amino-2-oxo-1-piperidinyl)phosphoryl]amino]benzonitrile IUPAC Name: 4-[[amino-(3-amino-2-oxopiperidin-1-yl)phosphoryl]amino]benzonitrile Traditional Name: 4-[[amino-(3-amino-2-keto-piperidino)phosphoryl]amino]benzonitrile Formula: C12H16N5O2P MolecularWeight: 293.261501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)P(=O)(N)NC2=CC=C(C=C2)C#N)N

Isomeric SMILES

C1CC(C(=O)N(C1)P(=O)(N)NC2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C12H16N5O2P/c13-8-9-3-5-10(6-4-9)16-20(15,19)17-7-1-2-11(14)12(17)18/h3-6,11H,1-2,7,14H2,(H3,15,16,19)