2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-5-(4-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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