1-[(2,4-dichlorophenyl)methyl]-2-methyl-4H-quinazoline-7-carboxylic acid sulfate

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4H-quinazoline-7-carboxylic acid sulfate Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4H-quinazoline-7-carboxylic acid sulfate CAS Name: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4H-quinazoline-7-carboxylic acid sulfate IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-2-methyl-4H-quinazoline-7-carboxylic acid sulfate Traditional Name: 1-(2,4-dichlorobenzyl)-2-methyl-4H-quinazoline-7-carboxylic acid sulfate Formula: C17H14Cl2N2O6S-2 MolecularWeight: 445.27386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C=C(C=C2)C(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=NCC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C=C(C=C2)C(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H14Cl2N2O2.H2O4S/c1-10-20-8-12-3-2-11(17(22)23)6-16(12)21(10)9-13-4-5-14(18)7-15(13)19;1-5(2,3)4/h2-7H,8-9H2,1H3,(H,22,23);(H2,1,2,3,4)/p-2