2-[[furan-2-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[furan-2-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[2-furylmethyl(methyl)ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[2-furanylmethyl(methyl)ammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[furan-2-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[2-furfuryl(methyl)ammonio]methyl]quinazolin-4-olate Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

InChI

InChI=1S/C17H17N3O4/c1-20(9-12-4-3-7-24-12)10-15-18-14-8-11(17(22)23-2)5-6-13(14)16(21)19-15/h3-8H,9-10H2,1-2H3,(H,18,19,21)