N5-(cyclohexylmethyl)-2-(furan-2-yl)-N5-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine

Systemtic Name: N5-(cyclohexylmethyl)-2-(furan-2-yl)-N5-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine Openeye Name: N5-(cyclohexylmethyl)-2-(2-furyl)-N5-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine CAS Name: N5-(cyclohexylmethyl)-2-(2-furanyl)-N5-[[4-(methylthio)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine IUPAC Name: 5-N-(cyclohexylmethyl)-2-(furan-2-yl)-5-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine Traditional Name: [7-amino-2-(2-furyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-(cyclohexylmethyl)-[4-(methylthio)benzyl]amine Formula: C24H28N6OS MolecularWeight: 448.58372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN(CC2CCCCC2)C3=NC4=NC(=NN4C(=C3)N)C5=CC=CO5

Isomeric SMILES

CSC1=CC=C(C=C1)CN(CC2CCCCC2)C3=NC4=NC(=NN4C(=C3)N)C5=CC=CO5

InChI

InChI=1S/C24H28N6OS/c1-32-19-11-9-18(10-12-19)16-29(15-17-6-3-2-4-7-17)22-14-21(25)30-24(26-22)27-23(28-30)20-8-5-13-31-20/h5,8-14,17H,2-4,6-7,15-16,25H2,1H3