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

Systemtic Name: 2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)ethanamide Openeye Name: 2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N,N-bis(2-cyanoethyl)acetamide CAS Name: 2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N,N-bis(2-cyanoethyl)acetamide IUPAC Name: 2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-cyanoethyl)acetamide Traditional Name: 2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N,N-bis(2-cyanoethyl)acetamide Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H22BrN5O2S/c1-14(2)12-26-19(28)16-11-15(21)5-6-17(16)24-20(26)29-13-18(27)25(9-3-7-22)10-4-8-23/h5-6,11,14H,3-4,9-10,12-13H2,1-2H3