(4-azanylquinazolin-2-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CSCC3=CC(=CC=C3)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CSCC3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C18H16ClN3O2S/c19-13-5-3-4-12(8-13)10-25-11-17(23)24-9-16-21-15-7-2-1-6-14(15)18(20)22-16/h1-8H,9-11H2,(H2,20,21,22)