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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N

InChI

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