5-[3-ethoxy-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-thiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[3-ethoxy-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-thiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[4-(4-benzylpiperazin-1-yl)sulfonyl-3-ethoxy-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3-ethoxy-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[4-(4-benzylpiperazin-1-yl)sulfonyl-3-ethoxythiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[4-(4-benzylpiperazino)sulfonyl-3-ethoxy-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H32N6O4S2 MolecularWeight: 556.70008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C(=CS3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C(=CS3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)OCC)C

InChI

InChI=1S/C26H32N6O4S2/c1-4-9-19-21-22(30(3)29-19)26(33)28-25(27-21)24-23(36-5-2)20(17-37-24)38(34,35)32-14-12-31(13-15-32)16-18-10-7-6-8-11-18/h6-8,10-11,17H,4-5,9,12-16H2,1-3H3,(H,27,28,33)