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

Systemtic Name: methyl 5-[[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C)C(=O)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-13(2)29-9-5-8-25-20(26)17-7-6-15(23)10-19(17)24-22(25)31-12-16-11-18(14(3)30-16)21(27)28-4/h6-7,10-11,13H,5,8-9,12H2,1-4H3