4-azanyl-5-chloranyl-1-[(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-5-chloranyl-1-[(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one CAS Name: 4-amino-5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone IUPAC Name: 4-amino-5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-5-chloro-1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidin-2-one Formula: C9H12ClN3O4S MolecularWeight: 293.72728

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(C(S2)CO)O)O)N)Cl

Isomeric SMILES

C1=C(C(=NC(=O)N1[C@@H]2[C@H]([C@@H]([C@H](S2)CO)O)O)N)Cl

InChI

InChI=1S/C9H12ClN3O4S/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6+,8+/m1/s1