2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-propargyl-acetamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC#C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC#C

InChI

InChI=1S/C18H21N3O2S/c1-4-10-19-16(22)12-24-18-20-15-8-6-5-7-14(15)17(23)21(18)11-9-13(2)3/h1,5-8,13H,9-12H2,2-3H3,(H,19,22)