5-chloranyl-6-ethyl-N-(8-methylsulfanyloctyl)pyrimidin-4-amine; ethanedioic acid

Systemtic Name: 5-chloranyl-6-ethyl-N-(8-methylsulfanyloctyl)pyrimidin-4-amine; ethanedioic acid Openeye Name: 5-chloro-6-ethyl-N-(8-methylsulfanyloctyl)pyrimidin-4-amine; oxalic acid CAS Name: 5-chloro-6-ethyl-N-[8-(methylthio)octyl]-4-pyrimidinamine; oxalic acid IUPAC Name: 5-chloro-6-ethyl-N-(8-methylsulfanyloctyl)pyrimidin-4-amine; oxalic acid Traditional Name: (5-chloro-6-ethyl-pyrimidin-4-yl)-[8-(methylthio)octyl]amine; oxalic acid Formula: C17H28ClN3O4S MolecularWeight: 405.93992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCCCCCCCCSC)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=C(C(=NC=N1)NCCCCCCCCSC)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H26ClN3S.C2H2O4/c1-3-13-14(16)15(19-12-18-13)17-10-8-6-4-5-7-9-11-20-2;3-1(4)2(5)6/h12H,3-11H2,1-2H3,(H,17,18,19);(H,3,4)(H,5,6)