2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-(1H-imidazol-2-ylmethylthio)ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1H-imidazol-2-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-(1H-imidazol-2-ylmethylthio)ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c24-17-15(7-6-14-4-2-1-3-5-14)12-22-18(23-17)21-10-11-25-13-16-19-8-9-20-16/h1-5,8-9,12H,6-7,10-11,13H2,(H,19,20)(H2,21,22,23,24)