(1R,2S,3R,5R)-3-[[2-azanyl-6-chloranyl-5-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5R)-3-[[2-azanyl-6-chloranyl-5-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-[5-(hydroxymethyl)thiazol-2-yl]ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-[5-(hydroxymethyl)-2-thiazolyl]ethynyl]-4-pyrimidinyl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(5-methylolthiazol-2-yl)ethynyl]pyrimidin-4-yl]amino]-5-methylol-cyclopentane-1,2-diol Formula: C16H18ClN5O4S MolecularWeight: 411.86322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1NC2=C(C(=NC(=N2)N)Cl)C#CC3=NC=C(S3)CO)O)O)CO

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1NC2=C(C(=NC(=N2)N)Cl)C#CC3=NC=C(S3)CO)O)O)CO

InChI

InChI=1S/C16H18ClN5O4S/c17-14-9(1-2-11-19-4-8(6-24)27-11)15(22-16(18)21-14)20-10-3-7(5-23)12(25)13(10)26/h4,7,10,12-13,23-26H,3,5-6H2,(H3,18,20,21,22)/t7-,10-,12-,13+/m1/s1