(phenylmethyl) 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-6-13-9-14(19)18-16(17-13)22-11-15(20)21-10-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10-11H2,1H3,(H,17,18,19)