N-[2-[(E)-4-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]but-2-enyl]sulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-[2-[(E)-4-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]but-2-enyl]sulfanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-[2-[(E)-4-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]but-2-enyl]sulfanyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-[2-[[(E)-4-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]but-2-enyl]thio]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-[2-[(E)-4-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]but-2-enyl]sulfanyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: N-[2-[[(E)-4-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]but-2-enyl]thio]-4-hydroxy-6-keto-1H-pyrimidin-5-yl]acetamide Formula: C16H18N6O6S2 MolecularWeight: 454.48072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC=CCSC2=NC(=C(C(=O)N2)NC(=O)C)O)O

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SC/C=C/CSC2=NC(=C(C(=O)N2)NC(=O)C)O)O

InChI

InChI=1S/C16H18N6O6S2/c1-7(23)17-9-11(25)19-15(20-12(9)26)29-5-3-4-6-30-16-21-13(27)10(14(28)22-16)18-8(2)24/h3-4H,5-6H2,1-2H3,(H,17,23)(H,18,24)(H2,19,20,25,26)(H2,21,22,27,28)/b4-3+