ditert-butyl 2-(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)propanedioate

Systemtic Name: ditert-butyl 2-(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)propanedioate Openeye Name: ditert-butyl 2-(4-anilino-6-chloro-1,3,5-triazin-2-yl)propanedioate CAS Name: 2-(4-anilino-6-chloro-1,3,5-triazin-2-yl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-anilino-6-chloro-1,3,5-triazin-2-yl)propanedioate Traditional Name: 2-(4-anilino-6-chloro-s-triazin-2-yl)malonic acid ditert-butyl ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)Cl)NC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)Cl)NC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25ClN4O4/c1-19(2,3)28-15(26)13(16(27)29-20(4,5)6)14-23-17(21)25-18(24-14)22-12-10-8-7-9-11-12/h7-11,13H,1-6H3,(H,22,23,24,25)