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

Systemtic Name: 4-piperidin-1-yl-6-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazin-2-amine Openeye Name: 4-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: 4-(1-piperidinyl)-6-[[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,5-triazin-2-amine IUPAC Name: 4-piperidin-1-yl-6-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazin-2-amine Traditional Name: [4-[[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-6-piperidino-s-triazin-2-yl]amine Formula: C19H23N9S MolecularWeight: 409.51122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N9S/c1-2-9-28-16(14-7-6-8-21-12-14)25-26-19(28)29-13-15-22-17(20)24-18(23-15)27-10-4-3-5-11-27/h2,6-8,12H,1,3-5,9-11,13H2,(H2,20,22,23,24)