5-[5-[4-(2-fluoranylethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 5-[5-[4-(2-fluoranylethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 5-[5-[4-(2-fluoroethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one CAS Name: 5-[5-[[4-(2-fluoroethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 5-[5-[4-(2-fluoroethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 5-[5-[4-(2-fluoroethyl)piperazino]sulfonyl-2-propoxy-phenyl]-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-7-one Formula: C25H38FN5O4S MolecularWeight: 523.663723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCF)OCCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCF)OCCC)N(C1)C

InChI

InChI=1S/C25H38FN5O4S/c1-4-9-30-17-21-23(27-25(32)24(21)28(3)18-30)20-16-19(6-7-22(20)35-15-5-2)36(33,34)31-13-11-29(10-8-26)12-14-31/h6-7,16,23H,4-5,8-15,17-18H2,1-3H3,(H,27,32)