ethyl 5-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]pentanoate

Systemtic Name: ethyl 5-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]pentanoate Openeye Name: ethyl 5-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanoate CAS Name: 5-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanoate Traditional Name: 5-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]valeric acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-2-23-17(22)10-6-7-11-24-18-19-15(13-16(21)20-18)12-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,19,20,21)