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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)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-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O3S/c1-2-27-15-8-10-16(11-9-15)29-13-18(26)28-12-17-23-19(21)25-20(24-17)22-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H3,21,22,23,24,25)