(2,3,4,5,6-pentamethylphenyl)sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate

Systemtic Name: (2,3,4,5,6-pentamethylphenyl)sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate Openeye Name: (2,3,4,5,6-pentamethylphenyl)sulfonyl 3-(4-aminoquinazolin-2-yl)propanoate CAS Name: 3-(4-amino-2-quinazolinyl)propanoic acid (2,3,4,5,6-pentamethylphenyl)sulfonyl ester IUPAC Name: (2,3,4,5,6-pentamethylphenyl)sulfonyl 3-(4-aminoquinazolin-2-yl)propanoate Traditional Name: 3-(4-aminoquinazolin-2-yl)propionic acid (2,3,4,5,6-pentamethylphenyl)sulfonyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC(=O)CCC2=NC3=CC=CC=C3C(=N2)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC(=O)CCC2=NC3=CC=CC=C3C(=N2)N)C)C

InChI

InChI=1S/C22H25N3O4S/c1-12-13(2)15(4)21(16(5)14(12)3)30(27,28)29-20(26)11-10-19-24-18-9-7-6-8-17(18)22(23)25-19/h6-9H,10-11H2,1-5H3,(H2,23,24,25)