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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H28ClN3O3S/c1-14(20(27)24-16-6-3-2-4-7-16)30-22-25-19-12-15(23)9-10-18(19)21(28)26(22)13-17-8-5-11-29-17/h9-10,12,14,16-17H,2-8,11,13H2,1H3,(H,24,27)