1,3-dimethyl-6-[4-[3-(3-methylsulfonylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-(3-methylsulfonylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[4-[3-(3-methylsulfonylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[4-[3-(3-methylsulfonylphenoxy)propyl]-1-piperazinyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[4-[3-(3-methylsulfonylphenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione Traditional Name: 6-[4-[3-(3-mesylphenoxy)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H28N4O5S/c1-21-18(15-19(25)22(2)20(21)26)24-11-9-23(10-12-24)8-5-13-29-16-6-4-7-17(14-16)30(3,27)28/h4,6-7,14-15H,5,8-13H2,1-3H3