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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-iodanylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate CAS Name: 2-iodobenzoic 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-iodobenzoate Traditional Name: 2-iodobenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H14IN5O2 MolecularWeight: 447.22983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C17H14IN5O2/c18-13-9-5-4-8-12(13)15(24)25-10-14-21-16(19)23-17(22-14)20-11-6-2-1-3-7-11/h1-9H,10H2,(H3,19,20,21,22,23)