methyl 4-[[[4-(phenethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(phenethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(phenethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate CAS Name: 4-[[[4-(phenethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(phenethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate Traditional Name: 4-[[[4-(phenethylamino)-s-triazin-2-yl]amino]methyl]benzoic acid methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC=N2)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC=N2)NCCC3=CC=CC=C3

InChI

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