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

Systemtic Name: dimethyl-[3-[2-[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-[(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[(2R)-1-(methylamino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-2-[[(1R)-2-keto-1-methyl-2-(methylamino)ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S/c1-12(15(22)18-2)24-17-19-14-9-6-5-8-13(14)16(23)21(17)11-7-10-20(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,18,22)/p+1/t12-/m1/s1