4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: 4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: 4-[[[5-(2-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-6-piperidino-s-triazin-2-yl]amine Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=NC(=N2)N)N3CCCCC3)C4=CC=CO4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=NC(=N2)N)N3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C18H22N8OS/c1-2-8-26-15(13-7-6-11-27-13)23-24-18(26)28-12-14-20-16(19)22-17(21-14)25-9-4-3-5-10-25/h2,6-7,11H,1,3-5,8-10,12H2,(H2,19,20,21,22)