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

Systemtic Name: 2-[3-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylthio]propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-[[4-(hydroxymethyl)-1H-imidazol-5-yl]methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-[(4-methylol-1H-imidazol-5-yl)methylthio]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=C(N=CN3)CO

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=C(N=CN3)CO

InChI

InChI=1S/C18H22N6O2S/c25-10-15-16(23-12-22-15)11-27-6-2-5-20-18-21-9-14(17(26)24-18)7-13-3-1-4-19-8-13/h1,3-4,8-9,12,25H,2,5-7,10-11H2,(H,22,23)(H2,20,21,24,26)