N,N-bis(2-cyanoethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N(CCC#N)CCC#N)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N(CCC#N)CCC#N)CCCO

InChI

InChI=1S/C19H21N5O3S/c20-8-3-10-23(11-4-9-21)17(26)14-28-19-22-16-7-2-1-6-15(16)18(27)24(19)12-5-13-25/h1-2,6-7,25H,3-5,10-14H2