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

Systemtic Name: 4-azanyl-1-[(2S,4R,5S)-4,5-bis(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2S,4R,5S)-4,5-bis(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2S,4R,5S)-4,5-bis(hydroxymethyl)-2-thiolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2S,4R,5S)-4,5-bis(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2S,4R,5S)-4,5-dimethyloltetrahydrothiophen-2-yl]pyrimidin-2-one Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=CC(=NC2=O)N)CO)CO

Isomeric SMILES

C1[C@@H]([C@H](S[C@@H]1N2C=CC(=NC2=O)N)CO)CO

InChI

InChI=1S/C10H15N3O3S/c11-8-1-2-13(10(16)12-8)9-3-6(4-14)7(5-15)17-9/h1-2,6-7,9,14-15H,3-5H2,(H2,11,12,16)/t6-,7-,9+/m1/s1