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

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-5-(3-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CN=CC=C3

InChI

InChI=1S/C20H25N5O2S/c1-25(2)13-17-5-6-18(27-17)14-28-9-8-22-20-23-12-16(19(26)24-20)10-15-4-3-7-21-11-15/h3-7,11-12H,8-10,13-14H2,1-2H3,(H2,22,23,24,26)