2-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2CCO)C=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2CCO)C=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-2-3-12-9-16(24)21-17(19-12)25-10-15-20-13-5-4-11(18)8-14(13)22(15)6-7-23/h4-5,8-9,23H,2-3,6-7,10H2,1H3,(H,19,21,24)