6-bromanyl-3-[6-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-hexyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 6-bromanyl-3-[6-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-hexyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 6-bromo-3-[6-(3-morpholinopropylamino)-6-oxo-hexyl]-2-thioxo-quinazolin-4-olate CAS Name: 6-bromo-3-[6-[3-(4-morpholinyl)propylamino]-6-oxohexyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 6-bromo-3-[6-(3-morpholin-4-ylpropylamino)-6-oxohexyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 6-bromo-3-[6-keto-6-(3-morpholinopropylamino)hexyl]-2-thioxo-quinazolin-4-olate Formula: C21H28BrN4O3S- MolecularWeight: 496.44102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)CCCCCN2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

Isomeric SMILES

C1COCCN1CCCNC(=O)CCCCCN2C(=C3C=C(C=CC3=NC2=S)Br)[O-]

InChI

InChI=1S/C21H29BrN4O3S/c22-16-6-7-18-17(15-16)20(28)26(21(30)24-18)10-3-1-2-5-19(27)23-8-4-9-25-11-13-29-14-12-25/h6-7,15,28H,1-5,8-14H2,(H,23,27)/p-1