2-[3-(5-chloranylpyrimidin-2-yl)sulfanylpropyl]azocane

Systemtic Name: 2-[3-(5-chloranylpyrimidin-2-yl)sulfanylpropyl]azocane Openeye Name: 2-[3-(5-chloropyrimidin-2-yl)sulfanylpropyl]azocane CAS Name: 2-[3-[(5-chloro-2-pyrimidinyl)thio]propyl]azocane IUPAC Name: 2-[3-(5-chloropyrimidin-2-yl)sulfanylpropyl]azocane Traditional Name: 2-[3-[(5-chloropyrimidin-2-yl)thio]propyl]azocane Formula: C14H22ClN3S MolecularWeight: 299.86258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCNC(CC1)CCCSC2=NC=C(C=N2)Cl

Isomeric SMILES

C1CCCNC(CC1)CCCSC2=NC=C(C=N2)Cl

InChI

InChI=1S/C14H22ClN3S/c15-12-10-17-14(18-11-12)19-9-5-7-13-6-3-1-2-4-8-16-13/h10-11,13,16H,1-9H2