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

Systemtic Name: 5-[(5-methoxy-6-oxidanylidene-1H-pyridin-3-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(5-methoxy-6-oxo-1H-pyridin-3-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-[(5-methoxy-6-oxo-1H-pyridin-3-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(5-methoxy-6-oxo-1H-pyridin-3-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(6-keto-5-methoxy-1H-pyridin-3-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C18H22N6O3S MolecularWeight: 402.47068

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O3S/c1-11-14(23-10-22-11)9-28-4-3-19-18-21-8-13(16(25)24-18)5-12-6-15(27-2)17(26)20-7-12/h6-8,10H,3-5,9H2,1-2H3,(H,20,26)(H,22,23)(H2,19,21,24,25)