N-(5-chloranyl-6-ethyl-pyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)imidazole-1-carboxamide

Systemtic Name: N-(5-chloranyl-6-ethyl-pyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)imidazole-1-carboxamide Openeye Name: N-(5-chloro-6-ethyl-pyrimidin-4-yl)-N-(8-isopropylsulfanyloctyl)imidazole-1-carboxamide CAS Name: N-(5-chloro-6-ethyl-4-pyrimidinyl)-N-[8-(propan-2-ylthio)octyl]-1-imidazolecarboxamide IUPAC Name: N-(5-chloro-6-ethylpyrimidin-4-yl)-N-(8-propan-2-ylsulfanyloctyl)imidazole-1-carboxamide Traditional Name: N-(5-chloro-6-ethyl-pyrimidin-4-yl)-N-[8-(isopropylthio)octyl]imidazole-1-carboxamide Formula: C21H32ClN5OS MolecularWeight: 438.02968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)N(CCCCCCCCSC(C)C)C(=O)N2C=CN=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)N(CCCCCCCCSC(C)C)C(=O)N2C=CN=C2)Cl

InChI

InChI=1S/C21H32ClN5OS/c1-4-18-19(22)20(25-15-24-18)27(21(28)26-13-11-23-16-26)12-9-7-5-6-8-10-14-29-17(2)3/h11,13,15-17H,4-10,12,14H2,1-3H3