2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[6-bromanyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[6-bromo-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[6-bromo-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCCC#N

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NCCC#N

InChI

InChI=1S/C18H21BrN4O3S/c1-2-26-10-4-9-23-17(25)14-11-13(19)5-6-15(14)22-18(23)27-12-16(24)21-8-3-7-20/h5-6,11H,2-4,8-10,12H2,1H3,(H,21,24)