4-chloranyl-6-(diethoxymethyl)-2-(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-chloranyl-6-(diethoxymethyl)-2-(phenylmethylsulfanyl)pyrimidine Openeye Name: 2-benzylsulfanyl-4-chloro-6-(diethoxymethyl)pyrimidine CAS Name: 4-chloro-6-(diethoxymethyl)-2-(phenylmethylthio)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-chloro-6-(diethoxymethyl)pyrimidine Traditional Name: 2-(benzylthio)-4-chloro-6-(diethoxymethyl)pyrimidine Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC(=NC(=N1)SCC2=CC=CC=C2)Cl)OCC

Isomeric SMILES

CCOC(C1=CC(=NC(=N1)SCC2=CC=CC=C2)Cl)OCC

InChI

InChI=1S/C16H19ClN2O2S/c1-3-20-15(21-4-2)13-10-14(17)19-16(18-13)22-11-12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3