(2R)-N-tert-butyl-2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-tert-butyl-2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-tert-butyl-2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-tert-butyl-2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C20H22ClN3O3S/c1-12(17(25)23-20(2,3)4)28-19-22-16-10-13(21)7-8-15(16)18(26)24(19)11-14-6-5-9-27-14/h5-10,12H,11H2,1-4H3,(H,23,25)/t12-/m1/s1