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

Systemtic Name: 2-[2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(1S)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[[(2S)-1-amino-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C19H29N4O2S+ MolecularWeight: 377.52416

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)N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-12(2)22(13(3)4)10-11-23-18(25)15-8-6-7-9-16(15)21-19(23)26-14(5)17(20)24/h6-9,12-14H,10-11H2,1-5H3,(H2,20,24)/p+1/t14-/m0/s1