3-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: diethyl-[3-[2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: 3-[2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: diethyl-[3-[4-keto-2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]quinazolin-3-yl]propyl]ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](CC)CC

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+](CC)CC

InChI

InChI=1S/C21H32N4O2S/c1-5-16(4)22-19(26)15-28-21-23-18-12-9-8-11-17(18)20(27)25(21)14-10-13-24(6-2)7-3/h8-9,11-12,16H,5-7,10,13-15H2,1-4H3,(H,22,26)/p+1/t16-/m0/s1