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

Systemtic Name: 6-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-4-one Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NCCSCC2=C(NC=N2)C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NCCSCC2=C(NC=N2)C)CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-14-17(9-8-16-6-4-3-5-7-16)19(26)25-20(24-14)21-10-11-27-12-18-15(2)22-13-23-18/h3-7,13H,8-12H2,1-2H3,(H,22,23)(H2,21,24,25,26)