2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[4-oxo-2-[[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-oxo-2-[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[(1R)-2-(allylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC=C)C(C)C

Isomeric SMILES

C[C@H](C(=O)NCC=C)SC1=NC2=CC=CC=C2C(=O)N1CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C22H32N4O2S/c1-7-12-23-20(27)17(6)29-22-24-19-11-9-8-10-18(19)21(28)26(22)14-13-25(15(2)3)16(4)5/h7-11,15-17H,1,12-14H2,2-6H3,(H,23,27)/p+1/t17-/m1/s1