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

Systemtic Name: 4-azanyl-1-[(2S,3R,4S,5R)-3-azido-5-(hydroxymethyl)-4-oxidanyl-thiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2S,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2S,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2S,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2S,3R,4S,5R)-3-azido-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidin-2-one Formula: C9H12N6O3S MolecularWeight: 284.29498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(S2)CO)O)N=[N+]=[N-]

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@@H]2[C@@H]([C@@H]([C@H](S2)CO)O)N=[N+]=[N-]

InChI

InChI=1S/C9H12N6O3S/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8+/m1/s1