(4-azanylquinazolin-2-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H15N5O2S MolecularWeight: 377.4197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CSC3=NC4=CC=CC=C4N=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CSC3=NC4=CC=CC=C4N=C3)N

InChI

InChI=1S/C19H15N5O2S/c20-19-12-5-1-2-6-13(12)22-16(24-19)10-26-18(25)11-27-17-9-21-14-7-3-4-8-15(14)23-17/h1-9H,10-11H2,(H2,20,22,24)