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

Systemtic Name: dimethyl-[3-[2-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[2-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-14(2)13-21-18(25)15(3)27-20-22-17-10-7-6-9-16(17)19(26)24(20)12-8-11-23(4)5/h6-7,9-10,14-15H,8,11-13H2,1-5H3,(H,21,25)/p+1/t15-/m0/s1