2-(2,2-diethoxyethylsulfanyl)-5-ethyl-6-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(2,2-diethoxyethylsulfanyl)-5-ethyl-6-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-(2,2-diethoxyethylsulfanyl)-5-ethyl-6-(1-naphthylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(2,2-diethoxyethylthio)-5-ethyl-6-(1-naphthalenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(2,2-diethoxyethylsulfanyl)-5-ethyl-6-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 2-(2,2-diethoxyethylthio)-5-ethyl-6-(1-naphthylmethyl)-1H-pyrimidin-4-one Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(OCC)OCC)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(OCC)OCC)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H28N2O3S/c1-4-18-20(14-17-12-9-11-16-10-7-8-13-19(16)17)24-23(25-22(18)26)29-15-21(27-5-2)28-6-3/h7-13,21H,4-6,14-15H2,1-3H3,(H,24,25,26)