(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)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-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H21N5O2S/c22-20-24-18(25-21(26-20)23-16-7-2-1-3-8-16)12-28-19(27)13-29-17-10-9-14-5-4-6-15(14)11-17/h1-3,7-11H,4-6,12-13H2,(H3,22,23,24,25,26)