2-[2-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-diethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N

InChI

InChI=1S/C17H24N4O2S/c1-4-20(5-2)10-11-21-16(23)13-8-6-7-9-14(13)19-17(21)24-12(3)15(18)22/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,22)/p+1/t12-/m1/s1