5-[6-ethoxy-3-(4-methylpiperazin-1-yl)sulfonyl-2-pentadecyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[6-ethoxy-3-(4-methylpiperazin-1-yl)sulfonyl-2-pentadecyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[6-ethoxy-3-(4-methylpiperazin-1-yl)sulfonyl-2-pentadecyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[6-ethoxy-3-[(4-methyl-1-piperazinyl)sulfonyl]-2-pentadecylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[6-ethoxy-3-(4-methylpiperazin-1-yl)sulfonyl-2-pentadecylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[6-ethoxy-3-(4-methylpiperazino)sulfonyl-2-pentadecyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C37H60N6O4S MolecularWeight: 684.9751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C=CC(=C1C2=NC(=O)C3=C(N2)C(=NN3C)CCC)OCC)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C=CC(=C1C2=NC(=O)C3=C(N2)C(=NN3C)CCC)OCC)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C37H60N6O4S/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-22-29-32(48(45,46)43-27-25-41(4)26-28-43)24-23-31(47-8-3)33(29)36-38-34-30(21-7-2)40-42(5)35(34)37(44)39-36/h23-24H,6-22,25-28H2,1-5H3,(H,38,39,44)