3-[methyl-(4-oxidanylidenepyrimido[2,1-a]isoquinolin-2-yl)amino]propanenitrile

Systemtic Name: 3-[methyl-(4-oxidanylidenepyrimido[2,1-a]isoquinolin-2-yl)amino]propanenitrile Openeye Name: 3-[methyl-(4-oxopyrimido[2,1-a]isoquinolin-2-yl)amino]propanenitrile CAS Name: 3-[methyl-(4-oxo-2-pyrimido[2,1-a]isoquinolinyl)amino]propanenitrile IUPAC Name: 3-[methyl-(4-oxopyrimido[2,1-a]isoquinolin-2-yl)amino]propanenitrile Traditional Name: 3-[(4-ketopyrimid[2,1-a]isoquinolin-2-yl)-methyl-amino]propionitrile Formula: C16H14N4O MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC(=O)N2C=CC3=CC=CC=C3C2=N1

Isomeric SMILES

CN(CCC#N)C1=CC(=O)N2C=CC3=CC=CC=C3C2=N1

InChI

InChI=1S/C16H14N4O/c1-19(9-4-8-17)14-11-15(21)20-10-7-12-5-2-3-6-13(12)16(20)18-14/h2-3,5-7,10-11H,4,9H2,1H3