ethyl 3-[1-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]propanoate

Systemtic Name: ethyl 3-[1-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]propanoate Openeye Name: ethyl 3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-5-yl)phenyl]sulfonyl-4-piperidyl]propanoate CAS Name: 3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-5-yl)phenyl]sulfonyl-4-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]propanoate Traditional Name: 3-[1-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-2,4,5,6-tetrahydropyrrolo[3,4-d]pyrimidin-5-yl)phenyl]sulfonyl-4-piperidyl]propionic acid ethyl ester Formula: C28H42N4O6S MolecularWeight: 562.72128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)CCC(=O)OCC)OCC)N(C1)C

Isomeric SMILES

CCCN1CC2=C(C(=O)NC2C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)CCC(=O)OCC)OCC)N(C1)C

InChI

InChI=1S/C28H42N4O6S/c1-5-14-31-18-23-26(29-28(34)27(23)30(4)19-31)22-17-21(9-10-24(22)37-6-2)39(35,36)32-15-12-20(13-16-32)8-11-25(33)38-7-3/h9-10,17,20,26H,5-8,11-16,18-19H2,1-4H3,(H,29,34)