5-chloranyl-N-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine

Systemtic Name: 5-chloranyl-N-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine Openeye Name: 5-chloro-N-[[3-methyl-4-[3-(4-pyridylmethylsulfanyl)propylsulfanyl]-2-pyridyl]methyl]pyrimidin-4-amine CAS Name: 5-chloro-N-[[3-methyl-4-[3-(pyridin-4-ylmethylthio)propylthio]-2-pyridinyl]methyl]-4-pyrimidinamine IUPAC Name: 5-chloro-N-[[3-methyl-4-[3-(pyridin-4-ylmethylsulfanyl)propylsulfanyl]pyridin-2-yl]methyl]pyrimidin-4-amine Traditional Name: (5-chloropyrimidin-4-yl)-[[3-methyl-4-[3-(4-pyridylmethylthio)propylthio]-2-pyridyl]methyl]amine Formula: C20H22ClN5S2 MolecularWeight: 432.00518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=NC=NC=C2Cl)SCCCSCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CN=C1CNC2=NC=NC=C2Cl)SCCCSCC3=CC=NC=C3

InChI

InChI=1S/C20H22ClN5S2/c1-15-18(12-25-20-17(21)11-23-14-26-20)24-8-5-19(15)28-10-2-9-27-13-16-3-6-22-7-4-16/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,23,25,26)