2-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-[(3-methyl-2-pyridyl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(3-methyl-2-pyridinyl)methylthio]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3-methylpyridin-2-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-[(3-methyl-2-pyridyl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CSCCNC2=NC=C(C(=O)N2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CC=C1)CSCCNC2=NC=C(C(=O)N2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15-6-5-9-21-17(15)14-27-11-10-22-20-23-12-18(19(25)24-20)26-13-16-7-3-2-4-8-16/h2-9,12H,10-11,13-14H2,1H3,(H2,22,23,24,25)