(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(2-methylsulfanylethyl)-(phenylcarbonyl)-(prop-2-ynylamino)azanium

Systemtic Name: (2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(2-methylsulfanylethyl)-(phenylcarbonyl)-(prop-2-ynylamino)azanium Openeye Name: benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-(2-methylsulfanylethyl)-(prop-2-ynylamino)ammonium CAS Name: benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-[2-(methylthio)ethyl]-(prop-2-ynylamino)ammonium IUPAC Name: benzoyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-(2-methylsulfanylethyl)-(prop-2-ynylamino)azanium Traditional Name: benzoyl-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl]-[2-(methylthio)ethyl]-(propargylamino)ammonium Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)C[N+](CCSC)(C(=O)C3=CC=CC=C3)NCC#C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)C[N+](CCSC)(C(=O)C3=CC=CC=C3)NCC#C

InChI

InChI=1S/C23H24N4O2S/c1-4-12-24-27(13-14-30-3,23(29)19-8-6-5-7-9-19)16-18-10-11-21-20(15-18)22(28)26-17(2)25-21/h1,5-11,15,24H,12-14,16H2,2-3H3/p+1