2-[4-oxidanylidene-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[(3-oxopiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[(3-oxo-1-piperazin-1-iumyl)methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(3-oxopiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(3-ketopiperazin-1-ium-1-yl)methyl]quinazolin-3-yl]acetonitrile Formula: C15H16N5O2+ MolecularWeight: 298.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C15H15N5O2/c16-5-7-20-13(9-19-8-6-17-14(21)10-19)18-12-4-2-1-3-11(12)15(20)22/h1-4H,6-10H2,(H,17,21)/p+1