methyl 5-[[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[6-bromo-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[6-bromo-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-bromo-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[6-bromo-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=CO4)C(=O)OC

InChI

InChI=1S/C21H17BrN2O5S/c1-12-16(20(26)27-2)9-15(29-12)11-30-21-23-18-6-5-13(22)8-17(18)19(25)24(21)10-14-4-3-7-28-14/h3-9H,10-11H2,1-2H3