ethyl 7-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]heptanoate

Systemtic Name: ethyl 7-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]heptanoate Openeye Name: ethyl 7-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]heptanoate CAS Name: 7-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]heptanoate Traditional Name: 7-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]enanthic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O3S/c1-2-25-19(24)12-8-3-4-9-13-26-20-21-17(15-18(23)22-20)14-16-10-6-5-7-11-16/h5-7,10-11,15H,2-4,8-9,12-14H2,1H3,(H,21,22,23)