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

Systemtic Name: ethyl 4-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 4-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-2-22-16(21)9-6-10-23-17-18-14(12-15(20)19-17)11-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11H2,1H3,(H,18,19,20)