5-[2-ethoxy-5-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[[4-(2,2,2-trifluoroethyl)-1-piperazinyl]sulfonyl]phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazino]sulfonyl-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Formula: C24H34F3N5O4S MolecularWeight: 545.61807

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC(F)(F)F)OCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC(F)(F)F)OCC)N(C1)C

InChI

InChI=1S/C24H34F3N5O4S/c1-4-8-31-14-19-21(28-23(33)22(19)29(3)16-31)18-13-17(6-7-20(18)36-5-2)37(34,35)32-11-9-30(10-12-32)15-24(25,26)27/h6-7,13,21H,4-5,8-12,14-16H2,1-3H3,(H,28,33)