5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxo-propyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[3-(2,6-dimethyl-4-morpholinyl)-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-[3-(2,6-dimethylmorpholino)-3-keto-propyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)CCC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-14-11-24(12-15(2)27-14)19(25)10-9-18-16(3)22-21(23-20(18)26)28-13-17-7-5-4-6-8-17/h4-8,14-15H,9-13H2,1-3H3,(H,22,23,26)