butyl 2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: butyl 2-(6-methyl-4-oxidanylidene-2-pentylsulfanyl-1H-pyrimidin-5-yl)ethanoate Openeye Name: butyl 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(pentylthio)-1H-pyrimidin-5-yl]acetic acid butyl ester IUPAC Name: butyl 2-(6-methyl-4-oxo-2-pentylsulfanyl-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(amylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid butyl ester Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)OCCCC

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC(=O)OCCCC

InChI

InChI=1S/C16H26N2O3S/c1-4-6-8-10-22-16-17-12(3)13(15(20)18-16)11-14(19)21-9-7-5-2/h4-11H2,1-3H3,(H,17,18,20)