2-[[(5S)-5-acetamido-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[[(5S)-5-acetamido-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[[(5S)-5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[[(5S)-5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl]thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[[(5S)-5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl]sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[[(5S)-5-acetamido-4,6-diketo-1H-pyrimidin-2-yl]thio]-N-(2-pyrimidyl)acetamide Formula: C12H12N6O4S MolecularWeight: 336.32648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=NC=CC=N2

Isomeric SMILES

CC(=O)N[C@H]1C(=O)NC(=NC1=O)SCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C12H12N6O4S/c1-6(19)15-8-9(21)17-12(18-10(8)22)23-5-7(20)16-11-13-3-2-4-14-11/h2-4,8H,5H2,1H3,(H,15,19)(H,13,14,16,20)(H,17,18,21,22)