5-ethanoyl-3-methyl-1-nonyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-ethanoyl-3-methyl-1-nonyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-acetyl-3-methyl-1-nonyl-2-thioxo-pyrimidin-4-one CAS Name: 5-acetyl-3-methyl-1-nonyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-acetyl-3-methyl-1-nonyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-acetyl-3-methyl-1-nonyl-2-thioxo-pyrimidin-4-one Formula: C16H26N2O2S MolecularWeight: 310.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C=C(C(=O)N(C1=S)C)C(=O)C

Isomeric SMILES

CCCCCCCCCN1C=C(C(=O)N(C1=S)C)C(=O)C

InChI

InChI=1S/C16H26N2O2S/c1-4-5-6-7-8-9-10-11-18-12-14(13(2)19)15(20)17(3)16(18)21/h12H,4-11H2,1-3H3