3-[2-[(2R)-2-cyanopropyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(2R)-2-cyanopropyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(2R)-2-cyanopropyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[(2R)-2-cyanopropyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2R)-2-cyanopropyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[(2R)-2-cyanopropyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C19H27N4OS+ MolecularWeight: 359.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(C)C#N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](C)C#N

InChI

InChI=1S/C19H26N4OS/c1-4-22(5-2)11-8-12-23-18(24)16-9-6-7-10-17(16)21-19(23)25-14-15(3)13-20/h6-7,9-10,15H,4-5,8,11-12,14H2,1-3H3/p+1/t15-/m1/s1