2-butylsulfanyl-4-(3-iodanylprop-2-ynoxy)-5-methoxy-pyrimidine

Systemtic Name: 2-butylsulfanyl-4-(3-iodanylprop-2-ynoxy)-5-methoxy-pyrimidine Openeye Name: 2-butylsulfanyl-4-(3-iodoprop-2-ynoxy)-5-methoxy-pyrimidine CAS Name: 2-(butylthio)-4-(3-iodoprop-2-ynoxy)-5-methoxypyrimidine IUPAC Name: 2-butylsulfanyl-4-(3-iodoprop-2-ynoxy)-5-methoxypyrimidine Traditional Name: 2-(butylthio)-4-(3-iodoprop-2-ynoxy)-5-methoxy-pyrimidine Formula: C12H15IN2O2S MolecularWeight: 378.22917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C(=N1)OCC#CI)OC

Isomeric SMILES

CCCCSC1=NC=C(C(=N1)OCC#CI)OC

InChI

InChI=1S/C12H15IN2O2S/c1-3-4-8-18-12-14-9-10(16-2)11(15-12)17-7-5-6-13/h9H,3-4,7-8H2,1-2H3