3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C24H34N5O2S+ MolecularWeight: 456.62406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C24H33N5O2S/c1-3-28(4-2)15-10-16-29-22(31)19-11-6-7-12-20(19)26-23(29)32-17-21(30)27-24(18-25)13-8-5-9-14-24/h6-7,11-12H,3-5,8-10,13-17H2,1-2H3,(H,27,30)/p+1