(2,4,6-trimethylphenyl)sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate

Systemtic Name: (2,4,6-trimethylphenyl)sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate Openeye Name: (2,4,6-trimethylphenyl)sulfonyl 3-(4-aminoquinazolin-2-yl)propanoate CAS Name: 3-(4-amino-2-quinazolinyl)propanoic acid (2,4,6-trimethylphenyl)sulfonyl ester IUPAC Name: (2,4,6-trimethylphenyl)sulfonyl 3-(4-aminoquinazolin-2-yl)propanoate Traditional Name: 3-(4-aminoquinazolin-2-yl)propionic acid mesitylsulfonyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC(=O)CCC2=NC3=CC=CC=C3C(=N2)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC(=O)CCC2=NC3=CC=CC=C3C(=N2)N)C

InChI

InChI=1S/C20H21N3O4S/c1-12-10-13(2)19(14(3)11-12)28(25,26)27-18(24)9-8-17-22-16-7-5-4-6-15(16)20(21)23-17/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,23)