5-chloranyl-6-ethyl-N-[8-(phenylmethylsulfanyl)octyl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-6-ethyl-N-[8-(phenylmethylsulfanyl)octyl]pyrimidin-4-amine Openeye Name: N-(8-benzylsulfanyloctyl)-5-chloro-6-ethyl-pyrimidin-4-amine CAS Name: 5-chloro-6-ethyl-N-[8-(phenylmethylthio)octyl]-4-pyrimidinamine IUPAC Name: N-(8-benzylsulfanyloctyl)-5-chloro-6-ethylpyrimidin-4-amine Traditional Name: 8-(benzylthio)octyl-(5-chloro-6-ethyl-pyrimidin-4-yl)amine Formula: C21H30ClN3S MolecularWeight: 392.001

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCCCCCCCCSCC2=CC=CC=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NCCCCCCCCSCC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H30ClN3S/c1-2-19-20(22)21(25-17-24-19)23-14-10-5-3-4-6-11-15-26-16-18-12-8-7-9-13-18/h7-9,12-13,17H,2-6,10-11,14-16H2,1H3,(H,23,24,25)