(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-(2-thenyl)ammonium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+](CC3=CC=CO3)CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+](CC3=CC=CO3)CC4=CC=CS4)OC

InChI

InChI=1S/C21H21N3O4S/c1-26-18-9-16-17(10-19(18)27-2)22-20(23-21(16)25)13-24(11-14-5-3-7-28-14)12-15-6-4-8-29-15/h3-10H,11-13H2,1-2H3,(H,22,23,25)/p+1