(1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]cyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-4-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-N-[2-(4-hydroxyphenyl)ethyl]cyclopentanecarboxamide Formula: C25H35N7O4S MolecularWeight: 529.6549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)C(=O)NCCC4=CC=C(C=C4)O)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C(=O)NCCC4=CC=C(C=C4)O)SCCC

InChI

InChI=1S/C25H35N7O4S/c1-3-5-11-26-22-19-23(29-25(28-22)37-13-4-2)32(31-30-19)18-14-17(20(34)21(18)35)24(36)27-12-10-15-6-8-16(33)9-7-15/h6-9,17-18,20-21,33-35H,3-5,10-14H2,1-2H3,(H,27,36)(H,26,28,29)/t17-,18+,20+,21-/m0/s1