ethyl 8-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]octanoate

Systemtic Name: ethyl 8-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]octanoate Openeye Name: ethyl 8-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]octanoate CAS Name: 8-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]octanoic acid ethyl ester IUPAC Name: ethyl 8-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]octanoate Traditional Name: 8-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]caprylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S/c1-2-26-20(25)13-9-4-3-5-10-14-27-21-22-18(16-19(24)23-21)15-17-11-7-6-8-12-17/h6-8,11-12,16H,2-5,9-10,13-15H2,1H3,(H,22,23,24)