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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-iodanylbenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H16IN5O2 MolecularWeight: 461.25641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H16IN5O2/c1-11-4-2-3-5-14(11)21-18-23-15(22-17(20)24-18)10-26-16(25)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H3,20,21,22,23,24)