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

Systemtic Name: methyl 4-oxidanylidene-2-[(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(4-keto-3-propyl-quinazolin-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H20N4O4S/c1-3-10-26-20(28)15-6-4-5-7-16(15)24-22(26)31-12-18-23-17-11-13(21(29)30-2)8-9-14(17)19(27)25-18/h4-9,11H,3,10,12H2,1-2H3,(H,23,25,27)