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

Systemtic Name: 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-cyclopentyl-acetamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C20H20ClN3O3S/c21-13-7-8-16-17(10-13)23-20(24(19(16)26)11-15-6-3-9-27-15)28-12-18(25)22-14-4-1-2-5-14/h3,6-10,14H,1-2,4-5,11-12H2,(H,22,25)