(2R)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide

Systemtic Name: (2R)-2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide Openeye Name: (2R)-2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-furylmethyl)propanamide CAS Name: (2R)-2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-furanylmethyl)propanamide IUPAC Name: (2R)-2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide Traditional Name: (2R)-2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2-furfuryl)propionamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NCC3=CC=CO3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)C

InChI

InChI=1S/C20H22BrN3O3S/c1-12(2)11-24-19(26)16-9-14(21)6-7-17(16)23-20(24)28-13(3)18(25)22-10-15-5-4-8-27-15/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)/t13-/m1/s1