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

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic 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 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N)O

InChI

InChI=1S/C18H16ClN5O3/c1-10-2-3-11(8-14(10)25)16(26)27-9-15-22-17(20)24-18(23-15)21-13-6-4-12(19)5-7-13/h2-8,25H,9H2,1H3,(H3,20,21,22,23,24)