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

Systemtic Name: 2-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]ethylamino]-5-(2-pyridylmethyl)-1H-pyrimidin-6-one CAS Name: 2-[2-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]ethylamino]-5-(2-pyridinylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylthio]ethylamino]-5-(2-pyridylmethyl)-1H-pyrimidin-6-one Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CC=N3

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CC=N3

InChI

InChI=1S/C21H26N6OS/c1-27(2)14-16-6-8-23-19(11-16)15-29-10-9-24-21-25-13-17(20(28)26-21)12-18-5-3-4-7-22-18/h3-8,11,13H,9-10,12,14-15H2,1-2H3,(H2,24,25,26,28)