2-[[6-(3-azanylpiperidin-1-yl)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3-azanylpiperidin-1-yl)-4-oxidanylidene-1H-pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3-amino-1-piperidyl)-4-oxo-1H-pyrimidin-5-yl]methyl]benzonitrile CAS Name: 2-[[6-(3-amino-1-piperidinyl)-4-oxo-1H-pyrimidin-5-yl]methyl]benzonitrile IUPAC Name: 2-[[6-(3-aminopiperidin-1-yl)-4-oxo-1H-pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3-aminopiperidino)-4-keto-1H-pyrimidin-5-yl]methyl]benzonitrile Formula: C17H19N5O MolecularWeight: 309.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C(=O)N=CN2)CC3=CC=CC=C3C#N)N

Isomeric SMILES

C1CC(CN(C1)C2=C(C(=O)N=CN2)CC3=CC=CC=C3C#N)N

InChI

InChI=1S/C17H19N5O/c18-9-13-5-2-1-4-12(13)8-15-16(20-11-21-17(15)23)22-7-3-6-14(19)10-22/h1-2,4-5,11,14H,3,6-8,10,19H2,(H,20,21,23)