2-[2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C25H37N4O2S+ MolecularWeight: 457.65188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C25H36N4O2S/c1-8-25(9-2,10-3)27-22(30)17-32-24-26-21-14-12-11-13-20(21)23(31)29(24)16-15-28(18(4)5)19(6)7/h1,11-14,18-19H,9-10,15-17H2,2-7H3,(H,27,30)/p+1