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

Systemtic Name: ethyl 7-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate Openeye Name: ethyl 7-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate CAS Name: 7-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)thio]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]heptanoate Traditional Name: 7-[(4-keto-6-phenethyl-1H-pyrimidin-2-yl)thio]enanthic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O3S/c1-2-26-20(25)12-8-3-4-9-15-27-21-22-18(16-19(24)23-21)14-13-17-10-6-5-7-11-17/h5-7,10-11,16H,2-4,8-9,12-15H2,1H3,(H,22,23,24)