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

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[(2-amino-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(2-amino-2-keto-ethyl)thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N)C(C)C

InChI

InChI=1S/C18H26N4O2S/c1-12(2)21(13(3)4)9-10-22-17(24)14-7-5-6-8-15(14)20-18(22)25-11-16(19)23/h5-8,12-13H,9-11H2,1-4H3,(H2,19,23)/p+1