2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)ethanamide Openeye Name: 2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropyl-ethyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(1-cyano-1-cyclopropylethyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(1-cyano-1-cyclopropylethyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(1-cyano-1-cyclopropyl-ethyl)acetamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

InChI

InChI=1S/C21H23ClN4O3S/c1-21(12-23,13-4-5-13)25-18(27)11-30-20-24-17-9-14(22)6-7-16(17)19(28)26(20)10-15-3-2-8-29-15/h6-7,9,13,15H,2-5,8,10-11H2,1H3,(H,25,27)