2-[[6-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanoic acid

Systemtic Name: 2-[[6-[7-(butylamino)-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanoic acid Openeye Name: 2-[[6-[7-(butylamino)-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetic acid CAS Name: 2-[[6-[7-(butylamino)-5-(propylthio)-3-triazolo[4,5-d]pyrimidinyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetic acid IUPAC Name: 2-[[6-[7-(butylamino)-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetic acid Traditional Name: 2-[[6-[7-(butylamino)-5-(propylthio)triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetic acid Formula: C21H32N6O5S MolecularWeight: 480.58098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C4C3OC(O4)(C)C)OCC(=O)O)SCCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2C3CC(C4C3OC(O4)(C)C)OCC(=O)O)SCCC

InChI

InChI=1S/C21H32N6O5S/c1-5-7-8-22-18-15-19(24-20(23-18)33-9-6-2)27(26-25-15)12-10-13(30-11-14(28)29)17-16(12)31-21(3,4)32-17/h12-13,16-17H,5-11H2,1-4H3,(H,28,29)(H,22,23,24)