(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17N7O3 MolecularWeight: 403.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H17N7O3/c21-19-24-16(25-20(26-19)23-13-6-2-1-3-7-13)11-30-17(28)10-27-12-22-15-9-5-4-8-14(15)18(27)29/h1-9,12H,10-11H2,(H3,21,23,24,25,26)