N-(3-hydroxyphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-hydroxyphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-hydroxyphenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-hydroxyphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-hydroxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-hydroxyphenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)O

InChI

InChI=1S/C21H21N3O4S/c25-15-6-3-5-14(11-15)22-19(26)13-29-21-23-18-9-2-1-8-17(18)20(27)24(21)12-16-7-4-10-28-16/h1-3,5-6,8-9,11,16,25H,4,7,10,12-13H2,(H,22,26)