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

Systemtic Name: 4-azanyl-1-[(2R,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,4S,5S)-4-benzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,4S,5S)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2R,4S,5S)-4-benzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]pyrimidin-2-one Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=CC(=NC2=O)N)COCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@@H](S[C@H]1N2C=CC(=NC2=O)N)COCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c24-21-11-12-26(23(27)25-21)22-13-19(29-15-18-9-5-2-6-10-18)20(30-22)16-28-14-17-7-3-1-4-8-17/h1-12,19-20,22H,13-16H2,(H2,24,25,27)/t19-,20-,22+/m0/s1