5-[3-ethoxy-4-(4-phenylpiperazin-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-phenylpiperazin-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-phenylpiperazin-1-yl)sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3-ethoxy-4-[(4-phenyl-1-piperazinyl)sulfonyl]-2-thiophenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[3-ethoxy-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[3-ethoxy-4-(4-phenylpiperazino)sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C25H30N6O4S2 MolecularWeight: 542.6735

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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=CC=CC=C5)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O4S2/c1-4-9-18-20-21(29(3)28-18)25(32)27-24(26-20)23-22(35-5-2)19(16-36-23)37(33,34)31-14-12-30(13-15-31)17-10-7-6-8-11-17/h6-8,10-11,16H,4-5,9,12-15H2,1-3H3,(H,26,27,32)