1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-5-phenylsulfanyl-thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-5-phenylsulfanyl-thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-phenylsulfanyl-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-(phenylthio)-2-thiolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-phenylsulfanylthiolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-4-hydroxy-5-methylol-5-(phenylthio)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(S2)(CO)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](S2)(CO)SC3=CC=CC=C3)O

InChI

InChI=1S/C16H18N2O4S2/c1-10-8-18(15(22)17-14(10)21)13-7-12(20)16(9-19,24-13)23-11-5-3-2-4-6-11/h2-6,8,12-13,19-20H,7,9H2,1H3,(H,17,21,22)/t12-,13+,16+/m0/s1