[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-iodanylbenzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-iodanylbenzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate CAS Name: 2-iodobenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C11H10IN5O2 MolecularWeight: 371.13387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)N)N)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)N)N)I

InChI

InChI=1S/C11H10IN5O2/c12-7-4-2-1-3-6(7)9(18)19-5-8-15-10(13)17-11(14)16-8/h1-4H,5H2,(H4,13,14,15,16,17)