2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-4-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 4-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 2-ethanimidoyl-4-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

InChI=1S/C17H18N4O3S/c1-11(19)13(9-18)15(23)10-25-17-20-14-6-3-2-5-12(14)16(24)21(17)7-4-8-22/h2-3,5-6,13,19,22H,4,7-8,10H2,1H3