(phenylmethyl)sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate

Systemtic Name: (phenylmethyl)sulfonyl 3-(4-azanylquinazolin-2-yl)propanoate Openeye Name: benzylsulfonyl 3-(4-aminoquinazolin-2-yl)propanoate CAS Name: 3-(4-amino-2-quinazolinyl)propanoic acid (phenylmethyl)sulfonyl ester IUPAC Name: benzylsulfonyl 3-(4-aminoquinazolin-2-yl)propanoate Traditional Name: 3-(4-aminoquinazolin-2-yl)propionic acid benzylsulfonyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c19-18-14-8-4-5-9-15(14)20-16(21-18)10-11-17(22)25-26(23,24)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,19,20,21)