3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(pyrimidin-5-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(pyrimidin-5-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(pyrimidin-5-ylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-(5-pyrimidinylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(pyrimidin-5-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-(5-pyrimidylmethyl)-2H-1,2,4-triazin-5-one Formula: C15H18N8OS MolecularWeight: 358.42142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=CN=CN=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=CN=CN=C3

InChI

InChI=1S/C15H18N8OS/c1-10-13(20-9-19-10)7-25-3-2-18-15-21-14(24)12(22-23-15)4-11-5-16-8-17-6-11/h5-6,8-9H,2-4,7H2,1H3,(H,19,20)(H2,18,21,23,24)