methyl 3-(4-morpholin-4-yl-4-oxidanylidene-butyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(4-morpholin-4-yl-4-oxidanylidene-butyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-morpholino-4-oxo-butyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[4-(4-morpholinyl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-morpholin-4-yl-4-oxobutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-keto-4-morpholino-butyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O5S/c1-25-17(24)12-4-5-13-14(11-12)19-18(27)21(16(13)23)6-2-3-15(22)20-7-9-26-10-8-20/h4-5,11H,2-3,6-10H2,1H3,(H,19,27)