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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CC3)C(C)C

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C22H32N4O2S/c1-14(2)25(15(3)4)12-13-26-21(28)18-8-6-7-9-19(18)24-22(26)29-16(5)20(27)23-17-10-11-17/h6-9,14-17H,10-13H2,1-5H3,(H,23,27)/p+1/t16-/m1/s1