dimethyl-[2-[[4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[oxo-[4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-7-yl]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl]azanium Traditional Name: 2-[[4-keto-3-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O

InChI

InChI=1S/C20H27N5O3S/c1-23(2)12-8-21-18(27)14-6-7-15-16(13-14)22-20(29)25(19(15)28)11-4-10-24-9-3-5-17(24)26/h6-7,13H,3-5,8-12H2,1-2H3,(H,21,27)(H,22,29)/p+1