[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpentanoate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpentanoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methylpentanoate CAS Name: 4-methylpentanoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methylpentanoate Traditional Name: 4-methylvaleric acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCC(C)C

InChI

InChI=1S/C17H23N5O2/c1-11(2)4-9-15(23)24-10-14-20-16(18)22-17(21-14)19-13-7-5-12(3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H3,18,19,20,21,22)