3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C19H21N5OS/c1-22-8-10-23(11-9-22)17-7-6-14(12-20-17)13-24-18(25)15-4-2-3-5-16(15)21-19(24)26/h2-7,12H,8-11,13H2,1H3,(H,21,26)/p+1