(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C19H20ClN4O2S+ MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H19ClN4O2S/c1-24(11-18(25)22-14-5-3-4-6-16(14)27-2)10-17-21-15-9-12(20)7-8-13(15)19(26)23-17/h3-9H,10-11H2,1-2H3,(H,22,25)(H,21,23,26)/p+1