methyl 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N4O4S/c1-3-4-11-27-21(29)16-7-5-6-8-17(16)25-23(27)32-13-19-24-18-12-14(22(30)31-2)9-10-15(18)20(28)26-19/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,26,28)