3-(furan-2-ylmethyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(furan-2-ylmethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-furfuryl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

InChI

InChI=1S/C19H20N4O3S/c1-21-6-8-22(9-7-21)17(24)13-4-5-15-16(11-13)20-19(27)23(18(15)25)12-14-3-2-10-26-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,27)/p+1