2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-methylol-1H-imidazol-5-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)CO

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)CO

InChI

InChI=1S/C19H23N5O2S/c25-11-16-17(23-13-22-16)12-27-9-8-20-19-21-10-15(18(26)24-19)7-6-14-4-2-1-3-5-14/h1-5,10,13,25H,6-9,11-12H2,(H,22,23)(H2,20,21,24,26)