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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-propan-2-ylbenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H23N5O2/c1-13(2)15-8-10-16(11-9-15)19(27)28-12-18-24-20(22)26-21(25-18)23-17-7-5-4-6-14(17)3/h4-11,13H,12H2,1-3H3,(H3,22,23,24,25,26)