ethyl 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]acetate CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]acetic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=NC2=CC=CC=C2C(=N1)N

Isomeric SMILES

CCOC(=O)CSCC1=NC2=CC=CC=C2C(=N1)N

InChI

InChI=1S/C13H15N3O2S/c1-2-18-12(17)8-19-7-11-15-10-6-4-3-5-9(10)13(14)16-11/h3-6H,2,7-8H2,1H3,(H2,14,15,16)