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

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

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3

InChI

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