(4-azanylquinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C18H17N3O4S/c1-26(23,24)11-12-5-4-6-13(9-12)18(22)25-10-16-20-15-8-3-2-7-14(15)17(19)21-16/h2-9H,10-11H2,1H3,(H2,19,20,21)