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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H18ClN5O4 MolecularWeight: 415.83032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)Cl)OC

InChI

InChI=1S/C19H18ClN5O4/c1-27-14-9-11(8-13(20)16(14)28-2)17(26)29-10-15-23-18(21)25-19(24-15)22-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H3,21,22,23,24,25)