5-[(3,4-dimethoxypyridin-2-yl)methyl]-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one

Systemtic Name: 5-[(3,4-dimethoxypyridin-2-yl)methyl]-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one Openeye Name: 5-[(3,4-dimethoxy-2-pyridyl)methyl]-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one CAS Name: 5-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-1H-pyrimidin-6-one IUPAC Name: 5-[(3,4-dimethoxypyridin-2-yl)methyl]-2-[3-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propylamino]-1H-pyrimidin-6-one Traditional Name: 5-[(3,4-dimethoxy-2-pyridyl)methyl]-2-[3-[(5-methyl-1H-imidazol-4-yl)methylthio]propylamino]-1H-pyrimidin-6-one Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=NC=CC(=C3OC)OC

Isomeric SMILES

CC1=C(N=CN1)CSCCCNC2=NC=C(C(=O)N2)CC3=NC=CC(=C3OC)OC

InChI

InChI=1S/C20H26N6O3S/c1-13-16(25-12-24-13)11-30-8-4-6-22-20-23-10-14(19(27)26-20)9-15-18(29-3)17(28-2)5-7-21-15/h5,7,10,12H,4,6,8-9,11H2,1-3H3,(H,24,25)(H2,22,23,26,27)