(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H18ClN5O2S MolecularWeight: 415.89652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN5O2S/c20-13-6-8-15(9-7-13)28-11-10-17(26)27-12-16-23-18(21)25-19(24-16)22-14-4-2-1-3-5-14/h1-9H,10-12H2,(H3,21,22,23,24,25)