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

Systemtic Name: 5-[(5-methoxy-4-oxidanylidene-1H-pyridin-2-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 5-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(4-keto-5-methoxy-1H-pyridin-2-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=CC(=O)C(=CN3)OC

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=O)C(=CN3)OC

InChI

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