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

Systemtic Name: 3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H30N5O2S+ MolecularWeight: 428.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-26(2)13-8-14-27-20(29)17-9-4-5-10-18(17)24-21(27)30-15-19(28)25-22(16-23)11-6-3-7-12-22/h4-5,9-10H,3,6-8,11-15H2,1-2H3,(H,25,28)/p+1