N-(2-cyanoethyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-furfuryl)acetamide Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CC4=CC=CO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CCC#N)CC4=CC=CO4)F

InChI

InChI=1S/C25H21FN4O3S/c1-17-9-10-18(14-21(17)26)30-24(32)20-7-2-3-8-22(20)28-25(30)34-16-23(31)29(12-5-11-27)15-19-6-4-13-33-19/h2-4,6-10,13-14H,5,12,15-16H2,1H3