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4-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine
SpectraBase Compound ID CMBp5Gu7Bq1
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)
InChIKey PMPRCKCVJHCVMA-UHFFFAOYSA-N
Mol Weight 398.49 g/mol
Molecular Formula C18H22N8OS
Exact Mass 398.163729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITC31Nx9BTF
Name 4-[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine
Alternate Name(s) 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 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 [4-[[[4-allyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]methyl]-6-piperidino-s-triazin-2-yl]amine
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Formula C18H22N8OS
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)
InChIKey PMPRCKCVJHCVMA-UHFFFAOYSA-N
Molecular Weight 398.489 g/mol
SMILES Nc1nc(nc(n1)CSc1[n](c(nn1)-c1occc1)CC=C)N1CCCCC1
SPLASH splash10-0006-9700000000-eb21bae2e57f20ac3423
Wiley ID 1445179