N-[1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[(4R,5R)-4,5-dimethylol-1,3-dithiolan-2-yl]-2-keto-pyrimidin-4-yl]benzamide Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C3SC(C(S3)CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C3S[C@@H]([C@H](S3)CO)CO

InChI

InChI=1S/C16H17N3O4S2/c20-8-11-12(9-21)25-16(24-11)19-7-6-13(18-15(19)23)17-14(22)10-4-2-1-3-5-10/h1-7,11-12,16,20-21H,8-9H2,(H,17,18,22,23)/t11-,12-/m1/s1