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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-methylpentanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-methylpentanoate CAS Name: 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 4-methylpentanoate Traditional Name: 4-methylvaleric acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-11(2)8-9-14(22)23-10-13-19-15(17)21-16(20-13)18-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H3,17,18,19,20,21)