2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxidanylidene-1H-pyrimidin-2-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxidanylidene-1H-pyrimidin-2-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxo-1H-pyrimidin-2-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[(6-oxo-1H-pyrimidin-2-yl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxo-1H-pyrimidin-2-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-[(6-keto-1H-pyrimidin-2-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C16H19N7O2S MolecularWeight: 373.43276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=NC=CC(=O)N3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=NC=CC(=O)N3

InChI

InChI=1S/C16H19N7O2S/c1-10-12(21-9-20-10)8-26-5-4-18-16-19-7-11(15(25)23-16)6-13-17-3-2-14(24)22-13/h2-3,7,9H,4-6,8H2,1H3,(H,20,21)(H,17,22,24)(H2,18,19,23,25)