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

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxidanylidene-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-[(6-keto-1H-pyridin-3-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CNC(=O)C=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CNC(=O)C=C3

InChI

InChI=1S/C17H20N6O2S/c1-11-14(22-10-21-11)9-26-5-4-18-17-20-8-13(16(25)23-17)6-12-2-3-15(24)19-7-12/h2-3,7-8,10H,4-6,9H2,1H3,(H,19,24)(H,21,22)(H2,18,20,23,25)