6-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C21H21N9S MolecularWeight: 431.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H21N9S/c1-13-5-2-3-7-16(13)24-20-26-17(25-19(22)27-20)12-31-21-29-28-18(30(21)15-8-9-15)14-6-4-10-23-11-14/h2-7,10-11,15H,8-9,12H2,1H3,(H3,22,24,25,26,27)