2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(3-phenylmethoxyphenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(3-phenylmethoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-[(3-benzyloxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[(3-phenylmethoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(3-phenylmethoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-(3-benzoxybenzyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-18-23(29-17-28-18)16-33-11-10-26-25-27-14-21(24(31)30-25)12-20-8-5-9-22(13-20)32-15-19-6-3-2-4-7-19/h2-9,13-14,17H,10-12,15-16H2,1H3,(H,28,29)(H2,26,27,30,31)