5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(2-methoxy-1-oxidanyl-ethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(2-methoxy-1-oxidanyl-ethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-2-(1-hydroxy-2-methoxy-ethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-butoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-ethyl-2-(1-hydroxy-2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(1-hydroxy-2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-2-(1-hydroxy-2-methoxy-ethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C25H37N7O6S MolecularWeight: 563.66958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C(COC)O)S(=O)(=O)N4CCN(CC4)CC

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C(COC)O)S(=O)(=O)N4CCN(CC4)CC

InChI

InChI=1S/C25H37N7O6S/c1-5-8-13-38-25-18(14-17(15-26-25)39(35,36)31-11-9-30(7-3)10-12-31)23-27-21-19(6-2)32(20(33)16-37-4)29-22(21)24(34)28-23/h14-15,20,33H,5-13,16H2,1-4H3,(H,27,28,34)