5-[5-(4-oxidanylidenepiperidin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(4-oxidanylidenepiperidin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-[(4-oxo-1-piperidyl)sulfonyl]-2-propoxy-phenyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-oxo-1-piperidinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-oxopiperidin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ketopiperidino)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H32N6O5S MolecularWeight: 564.65588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCC(=O)CC5)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCC(=O)CC5)OCCC

InChI

InChI=1S/C28H32N6O5S/c1-3-7-23-25-26(32-34(23)18-19-8-5-6-13-29-19)28(36)31-27(30-25)22-17-21(9-10-24(22)39-16-4-2)40(37,38)33-14-11-20(35)12-15-33/h5-6,8-10,13,17H,3-4,7,11-12,14-16,18H2,1-2H3,(H,30,31,36)