methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-4-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-4-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-2-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C20H21N3O5S/c1-12(2)21-17(24)11-29-20-22-16-9-13(19(26)27-3)6-7-15(16)18(25)23(20)10-14-5-4-8-28-14/h4-9,12H,10-11H2,1-3H3,(H,21,24)