2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(1R)-1-cyanoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-diethylammonium IUPAC Name: 2-[2-[(1R)-1-cyanoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[(1R)-1-cyanoethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C#N

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C#N

InChI

InChI=1S/C17H22N4OS/c1-4-20(5-2)10-11-21-16(22)14-8-6-7-9-15(14)19-17(21)23-13(3)12-18/h6-9,13H,4-5,10-11H2,1-3H3/p+1/t13-/m1/s1