methyl 5-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H23ClN2O5S/c1-13(2)28-10-4-9-24-19(25)16-7-5-14(22)11-17(16)23-21(24)30-12-15-6-8-18(29-15)20(26)27-3/h5-8,11,13H,4,9-10,12H2,1-3H3