(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic 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-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C23H25ClN6O3 MolecularWeight: 468.936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN6O3/c1-14(2)12-18(27-20(31)15-8-10-16(24)11-9-15)21(32)33-13-19-28-22(25)30-23(29-19)26-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,27,31)(H3,25,26,28,29,30)