5-[2-ethoxy-5-[4-(3-oxidanylpropyl)piperazin-1-yl]sulfonyl-pyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-[4-(3-oxidanylpropyl)piperazin-1-yl]sulfonyl-pyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[4-(3-hydroxypropyl)piperazin-1-yl]sulfonyl-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[[4-(3-hydroxypropyl)-1-piperazinyl]sulfonyl]-3-pyridinyl]-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-[4-(3-hydroxypropyl)piperazin-1-yl]sulfonylpyridin-3-yl]-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[4-(3-hydroxypropyl)piperazino]sulfonyl-3-pyridyl]-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H36N8O5S MolecularWeight: 596.70104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CCCO

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CCCO

InChI

InChI=1S/C28H36N8O5S/c1-3-8-23-24-25(33-36(23)19-20-9-5-6-10-29-20)27(38)32-26(31-24)22-17-21(18-30-28(22)41-4-2)42(39,40)35-14-12-34(13-15-35)11-7-16-37/h5-6,9-10,17-18,37H,3-4,7-8,11-16,19H2,1-2H3,(H,31,32,38)