5-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[3-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-oxopropyl]-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-[3-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-3-keto-propyl]-6-methyl-2-(methylthio)-1H-pyrimidin-4-one Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H27N3O5S/c1-14-17(22(29)25-23(24-14)32-2)4-6-20(27)26-9-7-15(8-10-26)21(28)16-3-5-18-19(13-16)31-12-11-30-18/h3,5,13,15H,4,6-12H2,1-2H3,(H,24,25,29)