N2,N4-dicyclohexyl-6-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-pyrazol-1-yl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2,N4-dicyclohexyl-6-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-pyrazol-1-yl]-1,3,5-triazine-2,4-diamine Openeye Name: N2,N4-dicyclohexyl-6-[3-(3,4-dimethoxyphenyl)-5-methylsulfanyl-pyrazol-1-yl]-1,3,5-triazine-2,4-diamine CAS Name: N2,N4-dicyclohexyl-6-[3-(3,4-dimethoxyphenyl)-5-(methylthio)-1-pyrazolyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N,4-N-dicyclohexyl-6-[3-(3,4-dimethoxyphenyl)-5-methylsulfanylpyrazol-1-yl]-1,3,5-triazine-2,4-diamine Traditional Name: cyclohexyl-[4-(cyclohexylamino)-6-[3-(3,4-dimethoxyphenyl)-5-(methylthio)pyrazol-1-yl]-s-triazin-2-yl]amine Formula: C27H37N7O2S MolecularWeight: 523.69338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=C2)SC)C3=NC(=NC(=N3)NC4CCCCC4)NC5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=C2)SC)C3=NC(=NC(=N3)NC4CCCCC4)NC5CCCCC5)OC

InChI

InChI=1S/C27H37N7O2S/c1-35-22-15-14-18(16-23(22)36-2)21-17-24(37-3)34(33-21)27-31-25(28-19-10-6-4-7-11-19)30-26(32-27)29-20-12-8-5-9-13-20/h14-17,19-20H,4-13H2,1-3H3,(H2,28,29,30,31,32)