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

Systemtic Name: 2-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H22ClN3O3S/c22-14-8-9-17-18(11-14)24-21(25(20(17)27)12-16-7-4-10-28-16)29-13-19(26)23-15-5-2-1-3-6-15/h4,7-11,15H,1-3,5-6,12-13H2,(H,23,26)