[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 1-ethylindole-3-carboxylate

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 1-ethylindole-3-carboxylate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 1-ethylindole-3-carboxylate CAS Name: 1-ethyl-3-indolecarboxylic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 1-ethylindole-3-carboxylate Traditional Name: 1-ethylindole-3-carboxylic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C21H19ClN6O2/c1-2-28-11-16(15-5-3-4-6-17(15)28)19(29)30-12-18-25-20(23)27-21(26-18)24-14-9-7-13(22)8-10-14/h3-11H,2,12H2,1H3,(H3,23,24,25,26,27)