N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CC4=CC=CO4

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CC4=CC=CO4

InChI

InChI=1S/C21H20N4O3S/c22-10-4-11-24(13-16-5-3-12-28-16)19(26)14-29-21-23-18-7-2-1-6-17(18)20(27)25(21)15-8-9-15/h1-3,5-7,12,15H,4,8-9,11,13-14H2