[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-(2-furfuryl)-methyl-ammonium Formula: C17H17N4O2+ MolecularWeight: 309.34248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C17H16N4O2/c1-20(11-13-5-4-10-23-13)12-16-19-15-7-3-2-6-14(15)17(22)21(16)9-8-18/h2-7,10H,9,11-12H2,1H3/p+1