4-azanyl-1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(4R,5R)-4,5-dimethylol-1,3-dithiolan-2-yl]pyrimidin-2-one Formula: C9H13N3O3S2 MolecularWeight: 275.34782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2SC(C(S2)CO)CO

Isomeric SMILES

C1=CN(C(=O)N=C1N)C2S[C@@H]([C@H](S2)CO)CO

InChI

InChI=1S/C9H13N3O3S2/c10-7-1-2-12(8(15)11-7)9-16-5(3-13)6(4-14)17-9/h1-2,5-6,9,13-14H,3-4H2,(H2,10,11,15)/t5-,6-/m1/s1