2-[2,3-bis(oxidanyl)-4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentyl]oxy-N-ethyl-ethanamide

Systemtic Name: 2-[2,3-bis(oxidanyl)-4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentyl]oxy-N-ethyl-ethanamide Openeye Name: 2-[2,3-dihydroxy-4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopentoxy]-N-ethyl-acetamide CAS Name: 2-[2,3-dihydroxy-4-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]cyclopentyl]oxy-N-ethylacetamide IUPAC Name: 2-[2,3-dihydroxy-4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopentyl]oxy-N-ethylacetamide Traditional Name: 2-[2,3-dihydroxy-4-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]cyclopentoxy]-N-ethyl-acetamide Formula: C25H33N7O4S MolecularWeight: 527.63902

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5CC(C(C5O)O)OCC(=O)NCC

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5CC(C(C5O)O)OCC(=O)NCC

InChI

InChI=1S/C25H33N7O4S/c1-3-10-37-25-28-23(27-16-11-15(16)14-8-6-5-7-9-14)20-24(29-25)32(31-30-20)17-12-18(22(35)21(17)34)36-13-19(33)26-4-2/h5-9,15-18,21-22,34-35H,3-4,10-13H2,1-2H3,(H,26,33)(H,27,28,29)