(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic 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 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-13-8-9-16(14(2)10-13)28-12-18(26)27-11-17-23-19(21)25-20(24-17)22-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)