2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1H-imidazol-5-ylmethylsulfanyl)ethylamino]-5-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(1H-imidazol-5-ylmethylthio)ethylamino]-5-m-anisyl-1H-pyrimidin-6-one Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=CN=CN3

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CN=C(NC2=O)NCCSCC3=CN=CN3

InChI

InChI=1S/C18H21N5O2S/c1-25-16-4-2-3-13(8-16)7-14-9-21-18(23-17(14)24)20-5-6-26-11-15-10-19-12-22-15/h2-4,8-10,12H,5-7,11H2,1H3,(H,19,22)(H2,20,21,23,24)