2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl-propyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl-propylammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylazaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl-propyl-ammonio]methyl]quinazolin-4-olate Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=C(C=CC(=C2)C(=O)OC)C(=N1)[O-])CC3=NN=C(O3)C4=CC=CO4

Isomeric SMILES

CCC[NH+](CC1=NC2=C(C=CC(=C2)C(=O)OC)C(=N1)[O-])CC3=NN=C(O3)C4=CC=CO4

InChI

InChI=1S/C21H21N5O5/c1-3-8-26(12-18-24-25-20(31-18)16-5-4-9-30-16)11-17-22-15-10-13(21(28)29-2)6-7-14(15)19(27)23-17/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,22,23,27)