6-chloranyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-1H-quinazolin-4-one Formula: C19H21ClN5O3S2+ MolecularWeight: 466.98474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H20ClN5O3S2/c1-24-6-8-25(9-7-24)30(27,28)14-3-5-18(21-11-14)29-12-17-22-16-4-2-13(20)10-15(16)19(26)23-17/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,26)/p+1