5-[3-ethoxy-4-(4-pyrimidin-2-ylpiperazin-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-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[3-ethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3-ethoxy-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[3-ethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[3-ethoxy-4-[4-(2-pyrimidyl)piperazino]sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H28N8O4S2 MolecularWeight: 544.64962

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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)C5=NC=CC=N5)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C(=CS3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)OCC)C

InChI

InChI=1S/C23H28N8O4S2/c1-4-7-15-17-18(29(3)28-15)22(32)27-21(26-17)20-19(35-5-2)16(14-36-20)37(33,34)31-12-10-30(11-13-31)23-24-8-6-9-25-23/h6,8-9,14H,4-5,7,10-13H2,1-3H3,(H,26,27,32)