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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-azanyl-5-bromanyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic 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-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H15BrN6O2 MolecularWeight: 415.244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN6O2/c18-10-6-7-13(19)12(8-10)15(25)26-9-14-22-16(20)24-17(23-14)21-11-4-2-1-3-5-11/h1-8H,9,19H2,(H3,20,21,22,23,24)