6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate

Systemtic Name: 6-(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Openeye Name: 6-(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoate CAS Name: 6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanoate IUPAC Name: 6-(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Traditional Name: 6-(4-keto-6-morpholino-2-thioxo-1H-quinazolin-3-yl)hexanoate Formula: C18H22N3O4S- MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CCCCCC(=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c22-16(23)4-2-1-3-7-21-17(24)14-12-13(20-8-10-25-11-9-20)5-6-15(14)19-18(21)26/h5-6,12H,1-4,7-11H2,(H,19,26)(H,22,23)/p-1