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

Systemtic Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-(1H-imidazol-5-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=CN=CN3

Isomeric SMILES

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

InChI

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