3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H20N4O2S/c1-18-8-10-19(11-9-18)14(21)6-7-20-15(22)12-4-2-3-5-13(12)17-16(20)23/h2-5H,6-11H2,1H3,(H,17,23)/p+1