5-(6-heptyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid

Systemtic Name: 5-(6-heptyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Openeye Name: 5-(6-heptyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)pentanoic acid CAS Name: 5-(6-heptyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid IUPAC Name: 5-(6-heptyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid Traditional Name: 5-(6-heptyl-4-keto-2-thioxo-1H-pyrimidin-5-yl)valeric acid Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=O)NC(=S)N1)CCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=C(C(=O)NC(=S)N1)CCCCC(=O)O

InChI

InChI=1S/C16H26N2O3S/c1-2-3-4-5-6-10-13-12(9-7-8-11-14(19)20)15(21)18-16(22)17-13/h2-11H2,1H3,(H,19,20)(H2,17,18,21,22)