N-(1-adamantyl)-2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H26ClN3O3S MolecularWeight: 484.01024

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CC6=CC=CO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CC6=CC=CO6

InChI

InChI=1S/C25H26ClN3O3S/c26-18-3-4-20-21(9-18)27-24(29(23(20)31)13-19-2-1-5-32-19)33-14-22(30)28-25-10-15-6-16(11-25)8-17(7-15)12-25/h1-5,9,15-17H,6-8,10-14H2,(H,28,30)