1-[3-[[(2-ethylsulfanylpyrimidin-5-yl)methylamino]methyl]pyridin-2-yl]piperidin-3-ol

Systemtic Name: 1-[3-[[(2-ethylsulfanylpyrimidin-5-yl)methylamino]methyl]pyridin-2-yl]piperidin-3-ol Openeye Name: 1-[3-[[(2-ethylsulfanylpyrimidin-5-yl)methylamino]methyl]-2-pyridyl]piperidin-3-ol CAS Name: 1-[3-[[[2-(ethylthio)-5-pyrimidinyl]methylamino]methyl]-2-pyridinyl]-3-piperidinol IUPAC Name: 1-[3-[[(2-ethylsulfanylpyrimidin-5-yl)methylamino]methyl]pyridin-2-yl]piperidin-3-ol Traditional Name: 1-[3-[[[2-(ethylthio)pyrimidin-5-yl]methylamino]methyl]-2-pyridyl]piperidin-3-ol Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)CNCC2=C(N=CC=C2)N3CCCC(C3)O

Isomeric SMILES

CCSC1=NC=C(C=N1)CNCC2=C(N=CC=C2)N3CCCC(C3)O

InChI

InChI=1S/C18H25N5OS/c1-2-25-18-21-10-14(11-22-18)9-19-12-15-5-3-7-20-17(15)23-8-4-6-16(24)13-23/h3,5,7,10-11,16,19,24H,2,4,6,8-9,12-13H2,1H3