5-chloranyl-6-ethyl-N-(8-prop-2-ynylsulfanyloctyl)pyrimidin-4-amine

Systemtic Name: 5-chloranyl-6-ethyl-N-(8-prop-2-ynylsulfanyloctyl)pyrimidin-4-amine Openeye Name: 5-chloro-6-ethyl-N-(8-prop-2-ynylsulfanyloctyl)pyrimidin-4-amine CAS Name: 5-chloro-6-ethyl-N-[8-(prop-2-ynylthio)octyl]-4-pyrimidinamine IUPAC Name: 5-chloro-6-ethyl-N-(8-prop-2-ynylsulfanyloctyl)pyrimidin-4-amine Traditional Name: (5-chloro-6-ethyl-pyrimidin-4-yl)-[8-(propargylthio)octyl]amine Formula: C17H26ClN3S MolecularWeight: 339.92644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCCCCCCCCSCC#C)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NCCCCCCCCSCC#C)Cl

InChI

InChI=1S/C17H26ClN3S/c1-3-12-22-13-10-8-6-5-7-9-11-19-17-16(18)15(4-2)20-14-21-17/h1,14H,4-13H2,2H3,(H,19,20,21)