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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic 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 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)N

InChI

InChI=1S/C18H17ClN6O3/c1-27-14-8-13(20)12(19)7-11(14)16(26)28-9-15-23-17(21)25-18(24-15)22-10-5-3-2-4-6-10/h2-8H,9,20H2,1H3,(H3,21,22,23,24,25)