(1S,3R)-1-[4-(hydroxymethyl)phenyl]-4-pyrimidin-2-ylsulfanyl-butane-1,3-diol

Systemtic Name: (1S,3R)-1-[4-(hydroxymethyl)phenyl]-4-pyrimidin-2-ylsulfanyl-butane-1,3-diol Openeye Name: (1S,3R)-1-[4-(hydroxymethyl)phenyl]-4-pyrimidin-2-ylsulfanyl-butane-1,3-diol CAS Name: (1S,3R)-1-[4-(hydroxymethyl)phenyl]-4-(2-pyrimidinylthio)butane-1,3-diol IUPAC Name: (1S,3R)-1-[4-(hydroxymethyl)phenyl]-4-pyrimidin-2-ylsulfanylbutane-1,3-diol Traditional Name: (1S,3R)-1-(4-methylolphenyl)-4-(2-pyrimidylthio)butane-1,3-diol Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(CC(C2=CC=C(C=C2)CO)O)O

Isomeric SMILES

C1=CN=C(N=C1)SC[C@@H](C[C@@H](C2=CC=C(C=C2)CO)O)O

InChI

InChI=1S/C15H18N2O3S/c18-9-11-2-4-12(5-3-11)14(20)8-13(19)10-21-15-16-6-1-7-17-15/h1-7,13-14,18-20H,8-10H2/t13-,14+/m1/s1