[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-propyl-azanium

Systemtic Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-propyl-azanium Openeye Name: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-propyl-ammonium CAS Name: [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-propylammonium IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-[(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)methyl]-propylazanium Traditional Name: (7-carbomethoxy-4-keto-1H-quinazolin-2-yl)methyl-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl]-propyl-ammonium Formula: C21H22N5O5+ MolecularWeight: 424.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC)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)/p+1