5-[[(1R,2S)-2-azanylcyclohexyl]amino]-7-[(3,5-dimethoxyphenyl)amino]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide

Systemtic Name: 5-[[(1R,2S)-2-azanylcyclohexyl]amino]-7-[(3,5-dimethoxyphenyl)amino]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide Openeye Name: 5-[[(1R,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-(2-thienyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide CAS Name: 5-[[(1R,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide IUPAC Name: 5-[[(1R,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide Traditional Name: 5-[[(1R,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-(2-thienyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide Formula: C24H28N8O3S MolecularWeight: 508.59592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=C(C3=NC(=NN3C(=N2)NC4CCCCC4N)C5=CC=CS5)C(=O)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=C(C3=NC(=NN3C(=N2)N[C@@H]4CCCC[C@@H]4N)C5=CC=CS5)C(=O)N)OC

InChI

InChI=1S/C24H28N8O3S/c1-34-14-10-13(11-15(12-14)35-2)27-22-19(20(26)33)23-29-21(18-8-5-9-36-18)31-32(23)24(30-22)28-17-7-4-3-6-16(17)25/h5,8-12,16-17,27H,3-4,6-7,25H2,1-2H3,(H2,26,33)(H,28,30)/t16-,17+/m0/s1