dimethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-quinazolin-3-yl]propyl]azanium Openeye Name: 3-[2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[4-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[4-oxo-2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylquinazolin-3-yl]propyl]azanium Traditional Name: 3-[2-[[2-(1-ethylpropylamino)-2-keto-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-5-15(6-2)21-18(25)14-27-20-22-17-11-8-7-10-16(17)19(26)24(20)13-9-12-23(3)4/h7-8,10-11,15H,5-6,9,12-14H2,1-4H3,(H,21,25)/p+1