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

Systemtic Name: 2-[2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-diethylammonium IUPAC Name: 2-[2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[2-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diethyl-ammonium Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C22H29N5O2S/c1-3-26(4-2)13-14-27-20(29)17-9-5-6-10-18(17)24-21(27)30-15-19(28)25-22(16-23)11-7-8-12-22/h5-6,9-10H,3-4,7-8,11-15H2,1-2H3,(H,25,28)/p+1