5-[(E)-3-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-yl]-2-methyl-prop-1-enyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine

Systemtic Name: 5-[(E)-3-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-yl]-2-methyl-prop-1-enyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine Openeye Name: 5-[(E)-3-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazin-1-yl]-2-methyl-prop-1-enyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine CAS Name: 5-[[(E)-3-[4-(2-tert-butyl-6-propyl-4-pyrimidinyl)-1-piperazinyl]-2-methylprop-1-enyl]thio]-4-methyl-1,2,4-triazol-3-amine IUPAC Name: 5-[(E)-3-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]-2-methylprop-1-enyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine Traditional Name: [5-[[(E)-3-[4-(2-tert-butyl-6-propyl-pyrimidin-4-yl)piperazino]-2-methyl-prop-1-enyl]thio]-4-methyl-1,2,4-triazol-3-yl]amine Formula: C22H36N8S MolecularWeight: 444.63984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CC(=CSC3=NN=C(N3C)N)C

Isomeric SMILES

CCCC1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)C/C(=C/SC3=NN=C(N3C)N)/C

InChI

InChI=1S/C22H36N8S/c1-7-8-17-13-18(25-19(24-17)22(3,4)5)30-11-9-29(10-12-30)14-16(2)15-31-21-27-26-20(23)28(21)6/h13,15H,7-12,14H2,1-6H3,(H2,23,26)/b16-15+