5-(hydroxymethyl)-4-oxidanyl-2-[5-oxidanyl-4-[(E)-prop-1-enoxy]-2-sulfanylidene-pyrimidin-1-yl]thiolane-3-carbonitrile

Systemtic Name: 5-(hydroxymethyl)-4-oxidanyl-2-[5-oxidanyl-4-[(E)-prop-1-enoxy]-2-sulfanylidene-pyrimidin-1-yl]thiolane-3-carbonitrile Openeye Name: 4-hydroxy-5-(hydroxymethyl)-2-[5-hydroxy-4-[(E)-prop-1-enoxy]-2-thioxo-pyrimidin-1-yl]tetrahydrothiophene-3-carbonitrile CAS Name: 4-hydroxy-5-(hydroxymethyl)-2-[5-hydroxy-4-[(E)-prop-1-enoxy]-2-sulfanylidene-1-pyrimidinyl]-3-thiolanecarbonitrile IUPAC Name: 4-hydroxy-5-(hydroxymethyl)-2-[5-hydroxy-4-[(E)-prop-1-enoxy]-2-sulfanylidenepyrimidin-1-yl]thiolane-3-carbonitrile Traditional Name: 4-hydroxy-2-[5-hydroxy-4-[(E)-prop-1-enoxy]-2-thioxo-pyrimidin-1-yl]-5-methylol-tetrahydrothiophene-3-carbonitrile Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC1=NC(=S)N(C=C1O)C2C(C(C(S2)CO)O)C#N

Isomeric SMILES

C/C=C/OC1=NC(=S)N(C=C1O)C2C(C(C(S2)CO)O)C#N

InChI

InChI=1S/C13H15N3O4S2/c1-2-3-20-11-8(18)5-16(13(21)15-11)12-7(4-14)10(19)9(6-17)22-12/h2-3,5,7,9-10,12,17-19H,6H2,1H3/b3-2+