2-[2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[2-(isobutylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC(C)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C22H34N4O2S/c1-15(2)13-23-20(27)14-29-22-24-19-10-8-7-9-18(19)21(28)26(22)12-11-25(16(3)4)17(5)6/h7-10,15-17H,11-14H2,1-6H3,(H,23,27)/p+1