N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H22N4O3S/c1-19(12-20,13-7-8-13)22-16(25)11-27-18-21-15-6-3-2-5-14(15)17(26)23(18)9-4-10-24/h2-3,5-6,13,24H,4,7-11H2,1H3,(H,22,25)