2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[3-(pyridin-3-ylmethylsulfanyl)propyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[3-(pyridin-3-ylmethylsulfanyl)propyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[3-(3-pyridylmethylsulfanyl)propyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[3-(3-pyridinylmethylthio)propyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[3-(pyridin-3-ylmethylsulfanyl)propyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[3-(3-pyridylmethylthio)propyl]-1H-pyrimidin-6-one Formula: C20H26N6OS2 MolecularWeight: 430.59004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CCCSCC3=CN=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CCCSCC3=CN=CC=C3

InChI

InChI=1S/C20H26N6OS2/c1-15-18(25-14-24-15)13-29-9-7-22-20-23-11-17(19(27)26-20)5-3-8-28-12-16-4-2-6-21-10-16/h2,4,6,10-11,14H,3,5,7-9,12-13H2,1H3,(H,24,25)(H2,22,23,26,27)