(1R,2S,3R,5R)-3-[[6-chloranyl-2-(methylamino)-5-[2-(2-methyl-6-methylsulfanyl-pyridin-3-yl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5R)-3-[[6-chloranyl-2-(methylamino)-5-[2-(2-methyl-6-methylsulfanyl-pyridin-3-yl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(methylamino)-5-[2-(2-methyl-6-methylsulfanyl-3-pyridyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(methylamino)-5-[2-[2-methyl-6-(methylthio)-3-pyridinyl]ethynyl]-4-pyrimidinyl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(methylamino)-5-[2-(2-methyl-6-methylsulfanylpyridin-3-yl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(methylamino)-5-[2-[2-methyl-6-(methylthio)-3-pyridyl]ethynyl]pyrimidin-4-yl]amino]-5-methylol-cyclopentane-1,2-diol Formula: C20H24ClN5O3S MolecularWeight: 449.95426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)SC)C#CC2=C(N=C(N=C2Cl)NC)NC3CC(C(C3O)O)CO

Isomeric SMILES

CC1=C(C=CC(=N1)SC)C#CC2=C(N=C(N=C2Cl)NC)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO

InChI

InChI=1S/C20H24ClN5O3S/c1-10-11(5-7-15(23-10)30-3)4-6-13-18(21)25-20(22-2)26-19(13)24-14-8-12(9-27)16(28)17(14)29/h5,7,12,14,16-17,27-29H,8-9H2,1-3H3,(H2,22,24,25,26)/t12-,14-,16-,17+/m1/s1