5-chloranyl-4-ethyl-pyrimidine; 5-propan-2-ylsulfanylazonane

Systemtic Name: 5-chloranyl-4-ethyl-pyrimidine; 5-propan-2-ylsulfanylazonane Openeye Name: 5-chloro-4-ethyl-pyrimidine; 5-isopropylsulfanylazonane CAS Name: 5-chloro-4-ethylpyrimidine; 5-(propan-2-ylthio)azonane IUPAC Name: 5-chloro-4-ethylpyrimidine; 5-propan-2-ylsulfanylazonane Traditional Name: 5-chloro-4-ethyl-pyrimidine; 5-(isopropylthio)azonane Formula: C17H30ClN3S MolecularWeight: 343.9582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=NC=C1Cl.CC(C)SC1CCCCNCCC1

Isomeric SMILES

CCC1=NC=NC=C1Cl.CC(C)SC1CCCCNCCC1

InChI

InChI=1S/C11H23NS.C6H7ClN2/c1-10(2)13-11-6-3-4-8-12-9-5-7-11;1-2-6-5(7)3-8-4-9-6/h10-12H,3-9H2,1-2H3;3-4H,2H2,1H3