7-methoxycarbonyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-methoxycarbonyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-methoxycarbonyl-2-[[methyl-[[4-(methylthio)phenyl]methyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-methoxycarbonyl-2-[[methyl-[(4-methylsulfanylphenyl)methyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[methyl-[4-(methylthio)benzyl]ammonio]methyl]quinazolin-4-olate Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-23(11-13-4-7-15(27-3)8-5-13)12-18-21-17-10-14(20(25)26-2)6-9-16(17)19(24)22-18/h4-10H,11-12H2,1-3H3,(H,21,22,24)