2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C21H21ClFN3O3S MolecularWeight: 449.926143

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFN3O3S/c1-29-10-2-9-26-20(28)17-8-5-15(22)11-18(17)25-21(26)30-13-19(27)24-12-14-3-6-16(23)7-4-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,24,27)