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

Systemtic Name: 2-[3-[(3-oxidanylpyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[3-[(3-hydroxy-2-pyridyl)methylsulfanyl]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[3-[(3-hydroxy-2-pyridinyl)methylthio]propylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[3-[(3-hydroxypyridin-2-yl)methylsulfanyl]propylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[3-[(3-hydroxy-2-pyridyl)methylthio]propylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=C(C=CC=N3)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCCSCC3=C(C=CC=N3)O

InChI

InChI=1S/C19H21N5O2S/c25-17-5-2-7-21-16(17)13-27-9-3-8-22-19-23-12-15(18(26)24-19)10-14-4-1-6-20-11-14/h1-2,4-7,11-12,25H,3,8-10,13H2,(H2,22,23,24,26)