2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclohexyl-N-ethyl-ethanamide

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclohexyl-N-ethyl-ethanamide Openeye Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclohexyl-N-ethyl-acetamide CAS Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-N-cyclohexyl-N-ethylacetamide IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclohexyl-N-ethylacetamide Traditional Name: 2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylthio]-N-cyclohexyl-N-ethyl-acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)CSCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

Isomeric SMILES

CCN(C1CCCCC1)C(=O)CSCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

InChI

InChI=1S/C21H30N6OS/c1-3-27(17-7-5-4-6-8-17)19(28)14-29-13-18-24-20(22)26-21(25-18)23-16-11-9-15(2)10-12-16/h9-12,17H,3-8,13-14H2,1-2H3,(H3,22,23,24,25,26)