2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[(4-methylol-1H-imidazol-5-yl)methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O2S/c24-9-14-15(22-11-21-14)10-26-5-4-19-17-20-8-13(16(25)23-17)6-12-2-1-3-18-7-12/h1-3,7-8,11,24H,4-6,9-10H2,(H,21,22)(H2,19,20,23,25)