5-chloranyl-4-ethyl-pyrimidine; 5-(1-phenylethylsulfanyl)azonane

Systemtic Name: 5-chloranyl-4-ethyl-pyrimidine; 5-(1-phenylethylsulfanyl)azonane Openeye Name: 5-chloro-4-ethyl-pyrimidine; 5-(1-phenylethylsulfanyl)azonane CAS Name: 5-chloro-4-ethylpyrimidine; 5-(1-phenylethylthio)azonane IUPAC Name: 5-chloro-4-ethylpyrimidine; 5-(1-phenylethylsulfanyl)azonane Traditional Name: 5-chloro-4-ethyl-pyrimidine; 5-(1-phenylethylthio)azonane Formula: C22H32ClN3S MolecularWeight: 406.02758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=NC=C1Cl.CC(C1=CC=CC=C1)SC2CCCCNCCC2

Isomeric SMILES

CCC1=NC=NC=C1Cl.CC(C1=CC=CC=C1)SC2CCCCNCCC2

InChI

InChI=1S/C16H25NS.C6H7ClN2/c1-14(15-8-3-2-4-9-15)18-16-10-5-6-12-17-13-7-11-16;1-2-6-5(7)3-8-4-9-6/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3;3-4H,2H2,1H3