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

Systemtic Name: 5-[(3-ethoxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(3-ethoxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-[(3-ethoxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(3-ethoxyphenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-(3-ethoxybenzyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=C(NC=N3)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=C(NC=N3)C

InChI

InChI=1S/C20H25N5O2S/c1-3-27-17-6-4-5-15(10-17)9-16-11-22-20(25-19(16)26)21-7-8-28-12-18-14(2)23-13-24-18/h4-6,10-11,13H,3,7-9,12H2,1-2H3,(H,23,24)(H2,21,22,25,26)