(1R,2S,3R,5R)-3-[[6-chloranyl-2-(dimethylamino)-5-(2-thiophen-2-ylethynyl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5R)-3-[[6-chloranyl-2-(dimethylamino)-5-(2-thiophen-2-ylethynyl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(dimethylamino)-5-[2-(2-thienyl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(dimethylamino)-5-(2-thiophen-2-ylethynyl)-4-pyrimidinyl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(dimethylamino)-5-(2-thiophen-2-ylethynyl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-[[6-chloro-2-(dimethylamino)-5-[2-(2-thienyl)ethynyl]pyrimidin-4-yl]amino]-5-methylol-cyclopentane-1,2-diol Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C(=N1)Cl)C#CC2=CC=CS2)NC3CC(C(C3O)O)CO

Isomeric SMILES

CN(C)C1=NC(=C(C(=N1)Cl)C#CC2=CC=CS2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO

InChI

InChI=1S/C18H21ClN4O3S/c1-23(2)18-21-16(19)12(6-5-11-4-3-7-27-11)17(22-18)20-13-8-10(9-24)14(25)15(13)26/h3-4,7,10,13-15,24-26H,8-9H2,1-2H3,(H,20,21,22)/t10-,13-,14-,15+/m1/s1