3-[2-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](C)C

InChI

InChI=1S/C18H26N4O2S/c1-5-19-16(23)13(2)25-18-20-15-10-7-6-9-14(15)17(24)22(18)12-8-11-21(3)4/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,19,23)/p+1/t13-/m0/s1