5-acetamido-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-acetamido-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-acetamido-2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-acetamido-2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-acetamido-2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-acetamido-2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-4-olate Formula: C14H19N4O4S- MolecularWeight: 339.39006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2CCCCC2)[O-]

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC(=O)NC2CCCCC2)[O-]

InChI

InChI=1S/C14H20N4O4S/c1-8(19)15-11-12(21)17-14(18-13(11)22)23-7-10(20)16-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,15,19)(H,16,20)(H2,17,18,21,22)/p-1