5-ethyl-1-[(2S,3S,4R,5S)-3-iodanyl-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 5-ethyl-1-[(2S,3S,4R,5S)-3-iodanyl-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[(2S,3S,4R,5S)-4-benzyloxy-5-(benzyloxymethyl)-3-iodo-tetrahydrothiophen-2-yl]-5-ethyl-pyrimidine-2,4-dione CAS Name: 5-ethyl-1-[(2S,3S,4R,5S)-3-iodo-4-phenylmethoxy-5-(phenylmethoxymethyl)-2-thiolanyl]pyrimidine-2,4-dione IUPAC Name: 5-ethyl-1-[(2S,3S,4R,5S)-3-iodo-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidine-2,4-dione Traditional Name: 1-[(2S,3S,4R,5S)-4-benzoxy-5-(benzoxymethyl)-3-iodo-tetrahydrothiophen-2-yl]-5-ethyl-pyrimidine-2,4-quinone Formula: C25H27IN2O4S MolecularWeight: 578.46235

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=O)NC1=O)C2C(C(C(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)I

Isomeric SMILES

CCC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@@H]([C@@H](S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)I

InChI

InChI=1S/C25H27IN2O4S/c1-2-19-13-28(25(30)27-23(19)29)24-21(26)22(32-15-18-11-7-4-8-12-18)20(33-24)16-31-14-17-9-5-3-6-10-17/h3-13,20-22,24H,2,14-16H2,1H3,(H,27,29,30)/t20-,21-,22+,24-/m0/s1