6,7-dimethoxy-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H23N4O5S2+ MolecularWeight: 451.53972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C19H22N4O5S2/c1-27-15-10-13-14(11-16(15)28-2)20-17(21-19(13)24)12-22-5-7-23(8-6-22)30(25,26)18-4-3-9-29-18/h3-4,9-11H,5-8,12H2,1-2H3,(H,20,21,24)/p+1