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

Systemtic Name: N-ethyl-2-[4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopent-2-en-1-yl]oxy-ethanamide Openeye Name: N-ethyl-2-[4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopent-2-en-1-yl]oxy-acetamide CAS Name: N-ethyl-2-[[4-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-1-cyclopent-2-enyl]oxy]acetamide IUPAC Name: N-ethyl-2-[4-[7-[(2-phenylcyclopropyl)amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]cyclopent-2-en-1-yl]oxyacetamide Traditional Name: N-ethyl-2-[4-[7-[(2-phenylcyclopropyl)amino]-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]cyclopent-2-en-1-yl]oxy-acetamide Formula: C25H31N7O2S MolecularWeight: 493.62434

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5CC(C=C5)OCC(=O)NCC

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NC3CC3C4=CC=CC=C4)N=NN2C5CC(C=C5)OCC(=O)NCC

InChI

InChI=1S/C25H31N7O2S/c1-3-12-35-25-28-23(27-20-14-19(20)16-8-6-5-7-9-16)22-24(29-25)32(31-30-22)17-10-11-18(13-17)34-15-21(33)26-4-2/h5-11,17-20H,3-4,12-15H2,1-2H3,(H,26,33)(H,27,28,29)