2-[[3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3

InChI

InChI=1S/C18H20N4O3S/c1-21(2)8-7-19-16(23)12-5-6-14-15(10-12)20-18(26)22(17(14)24)11-13-4-3-9-25-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,23)(H,20,26)/p+1