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

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-phenethyl-1H-pyrimidin-6-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-26(2)15-19-10-11-20(28-19)16-29-13-12-23-22-24-14-18(21(27)25-22)9-8-17-6-4-3-5-7-17/h3-7,10-11,14H,8-9,12-13,15-16H2,1-2H3,(H2,23,24,25,27)