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

Systemtic Name: 2-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(1-piperidylmethyl)-2-furyl]methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(1-piperidinylmethyl)-2-furanyl]methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(piperidinomethyl)-2-furyl]methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(O2)CSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(O2)CSCCNC3=NC=C(C(=O)N3)CC4=CN=CC=C4

InChI

InChI=1S/C23H29N5O2S/c29-22-19(13-18-5-4-8-24-14-18)15-26-23(27-22)25-9-12-31-17-21-7-6-20(30-21)16-28-10-2-1-3-11-28/h4-8,14-15H,1-3,9-13,16-17H2,(H2,25,26,27,29)