1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H27N3O3S/c1-14-17(15(2)24-22(23-14)29-3)7-9-21(26)25-10-4-5-18(25)16-6-8-19-20(13-16)28-12-11-27-19/h6,8,13,18H,4-5,7,9-12H2,1-3H3