N-(5-chloranyl-6-ethyl-pyrimidin-4-yl)-N-[8-(phenylmethylsulfanyl)octyl]imidazole-1-carboxamide

Systemtic Name: N-(5-chloranyl-6-ethyl-pyrimidin-4-yl)-N-[8-(phenylmethylsulfanyl)octyl]imidazole-1-carboxamide Openeye Name: N-(8-benzylsulfanyloctyl)-N-(5-chloro-6-ethyl-pyrimidin-4-yl)imidazole-1-carboxamide CAS Name: N-(5-chloro-6-ethyl-4-pyrimidinyl)-N-[8-(phenylmethylthio)octyl]-1-imidazolecarboxamide IUPAC Name: N-(8-benzylsulfanyloctyl)-N-(5-chloro-6-ethylpyrimidin-4-yl)imidazole-1-carboxamide Traditional Name: N-[8-(benzylthio)octyl]-N-(5-chloro-6-ethyl-pyrimidin-4-yl)imidazole-1-carboxamide Formula: C25H32ClN5OS MolecularWeight: 486.07248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)N(CCCCCCCCSCC2=CC=CC=C2)C(=O)N3C=CN=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)N(CCCCCCCCSCC2=CC=CC=C2)C(=O)N3C=CN=C3)Cl

InChI

InChI=1S/C25H32ClN5OS/c1-2-22-23(26)24(29-19-28-22)31(25(32)30-16-14-27-20-30)15-10-5-3-4-6-11-17-33-18-21-12-8-7-9-13-21/h7-9,12-14,16,19-20H,2-6,10-11,15,17-18H2,1H3