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

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(1-pyridin-3-ylethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-5-[1-(3-pyridyl)ethyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-5-[1-(3-pyridinyl)ethyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-(1-pyridin-3-ylethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-5-[1-(3-pyridyl)ethyl]-1H-pyrimidin-6-one Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)C2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C

Isomeric SMILES

CC(C1=CN=CC=C1)C2=CN=C(NC2=O)NCCSCC3=CC=C(O3)CN(C)C

InChI

InChI=1S/C21H27N5O2S/c1-15(16-5-4-8-22-11-16)19-12-24-21(25-20(19)27)23-9-10-29-14-18-7-6-17(28-18)13-26(2)3/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H2,23,24,25,27)