4-piperidin-1-yl-6-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazin-2-amine

Systemtic Name: 4-piperidin-1-yl-6-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazin-2-amine Openeye Name: 4-(1-piperidyl)-6-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazin-2-amine CAS Name: 4-(1-piperidinyl)-6-[[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3,5-triazin-2-amine IUPAC Name: 4-piperidin-1-yl-6-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazin-2-amine Traditional Name: [4-piperidino-6-[[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]amine Formula: C16H19N9S MolecularWeight: 369.44736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)CSC3=NNC(=N3)C4=CN=CC=C4)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)CSC3=NNC(=N3)C4=CN=CC=C4)N

InChI

InChI=1S/C16H19N9S/c17-14-19-12(20-15(22-14)25-7-2-1-3-8-25)10-26-16-21-13(23-24-16)11-5-4-6-18-9-11/h4-6,9H,1-3,7-8,10H2,(H,21,23,24)(H2,17,19,20,22)