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

Systemtic Name: 3-(2-methoxyethyl)-7-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2-methoxyethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-methoxyethyl)-7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2-methoxyethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-methoxyethyl)-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-19-5-7-20(8-6-19)15(22)12-3-4-13-14(11-12)18-17(25)21(16(13)23)9-10-24-2/h3-4,11H,5-10H2,1-2H3,(H,18,25)/p+1