O-ethyl 2-phenyl-4-pyrimidin-4-yl-butanethioate

Systemtic Name: O-ethyl 2-phenyl-4-pyrimidin-4-yl-butanethioate Openeye Name: O-ethyl 2-phenyl-4-pyrimidin-4-yl-butanethioate CAS Name: 2-phenyl-4-(4-pyrimidinyl)butanethioic acid O-ethyl ester IUPAC Name: O-ethyl 2-phenyl-4-pyrimidin-4-ylbutanethioate Traditional Name: 2-phenyl-4-(4-pyrimidyl)butanethioic acid O-ethyl ester Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)C(CCC1=NC=NC=C1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=S)C(CCC1=NC=NC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2OS/c1-2-19-16(20)15(13-6-4-3-5-7-13)9-8-14-10-11-17-12-18-14/h3-7,10-12,15H,2,8-9H2,1H3