methyl 2-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]benzoate Traditional Name: 2-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]benzoic acid methyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC2=NC(=NC(=N2)N)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC2=NC(=NC(=N2)N)N3CCCCC3

InChI

InChI=1S/C17H21N5O2S/c1-24-15(23)12-7-3-4-8-13(12)25-11-14-19-16(18)21-17(20-14)22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H2,18,19,20,21)