4-azanyl-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)-2-thietanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,3R,4S)-3,4-bis(hydroxymethyl)thietan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2R,3R,4S)-3,4-dimethylolthietan-2-yl]pyrimidin-2-one Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(S2)CO)CO

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O3S/c10-7-1-2-12(9(15)11-7)8-5(3-13)6(4-14)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6-,8-/m1/s1