2-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[3-(1-piperidylmethyl)phenyl]methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[3-(1-piperidinylmethyl)phenyl]methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[3-(piperidinomethyl)benzyl]thio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)CSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)CSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

InChI

InChI=1S/C25H31N5OS/c31-24-23(15-20-8-5-9-26-16-20)17-28-25(29-24)27-10-13-32-19-22-7-4-6-21(14-22)18-30-11-2-1-3-12-30/h4-9,14,16-17H,1-3,10-13,15,18-19H2,(H2,27,28,29,31)