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

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(4-methylcyclohexyl)acetamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H28ClN3O3S/c1-14-4-7-16(8-5-14)24-20(27)13-30-22-25-19-11-15(23)6-9-18(19)21(28)26(22)12-17-3-2-10-29-17/h6,9,11,14,16-17H,2-5,7-8,10,12-13H2,1H3,(H,24,27)