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

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic 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-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)O

InChI

InChI=1S/C17H20ClN5O3/c18-11-4-6-12(7-5-11)20-16-22-13(21-15(19)23-16)10-26-14(24)17(25)8-2-1-3-9-17/h4-7,25H,1-3,8-10H2,(H3,19,20,21,22,23)