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

Systemtic Name: 1-[(2S,4R,5S)-5-(hydroxymethyl)-4-phenylsulfanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2S,4R,5S)-5-(hydroxymethyl)-4-phenylsulfanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2S,4R,5S)-5-(hydroxymethyl)-4-(phenylthio)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2S,4R,5S)-5-(hydroxymethyl)-4-phenylsulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 5-methyl-1-[(2S,4R,5S)-5-methylol-4-(phenylthio)tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)SC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)SC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O4S/c1-10-8-18(16(21)17-15(10)20)14-7-13(12(9-19)22-14)23-11-5-3-2-4-6-11/h2-6,8,12-14,19H,7,9H2,1H3,(H,17,20,21)/t12-,13+,14-/m0/s1