3-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol

Systemtic Name: 3-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol Openeye Name: 3-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol CAS Name: 3-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-5-(hydroxymethyl)cyclopentane-1,2-diol IUPAC Name: 3-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol Traditional Name: 3-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-5-methylol-cyclopentane-1,2-diol Formula: C17H28N6O3S MolecularWeight: 396.50762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)CO)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C(C3O)O)CO)SCCC

InChI

InChI=1S/C17H28N6O3S/c1-3-5-6-18-15-12-16(20-17(19-15)27-7-4-2)23(22-21-12)11-8-10(9-24)13(25)14(11)26/h10-11,13-14,24-26H,3-9H2,1-2H3,(H,18,19,20)