7-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-pentyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-pentyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-3-pentyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-pentyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-3-pentyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-amyl-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)C)[O-]

Isomeric SMILES

CCCCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)C)[O-]

InChI

InChI=1S/C19H26N4O2S/c1-3-4-5-8-23-18(25)15-7-6-14(13-16(15)20-19(23)26)17(24)22-11-9-21(2)10-12-22/h6-7,13,25H,3-5,8-12H2,1-2H3