[4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol

Systemtic Name: [4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol Openeye Name: [4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol CAS Name: [4-[7-(cyclopropylamino)-5-[[4-(trifluoromethyl)phenyl]thio]-3-triazolo[4,5-d]pyrimidinyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol IUPAC Name: [4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol Traditional Name: [4-[7-(cyclopropylamino)-5-[[4-(trifluoromethyl)phenyl]thio]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol Formula: C23H25F3N6O3S MolecularWeight: 522.54321

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(CC(C2O1)N3C4=C(C(=NC(=N4)SC5=CC=C(C=C5)C(F)(F)F)NC6CC6)N=N3)CO)C

Isomeric SMILES

CC1(OC2C(CC(C2O1)N3C4=C(C(=NC(=N4)SC5=CC=C(C=C5)C(F)(F)F)NC6CC6)N=N3)CO)C

InChI

InChI=1S/C23H25F3N6O3S/c1-22(2)34-17-11(10-33)9-15(18(17)35-22)32-20-16(30-31-32)19(27-13-5-6-13)28-21(29-20)36-14-7-3-12(4-8-14)23(24,25)26/h3-4,7-8,11,13,15,17-18,33H,5-6,9-10H2,1-2H3,(H,27,28,29)