(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (3R)-3-phenylbutanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (3R)-3-phenylbutanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic 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 (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2)N)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2/c1-14(15-8-4-2-5-9-15)12-18(26)27-13-17-23-19(21)25-20(24-17)22-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H3,21,22,23,24,25)/t14-/m1/s1