5-[6-methoxy-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-methoxy-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-methoxy-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-methoxy-3-[(4-methyl-1-piperazinyl)sulfonyl]-2-pentadecylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[6-methoxy-3-(4-methylpiperazin-1-yl)sulfonyl-2-pentadecylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[6-methoxy-3-(4-methylpiperazino)sulfonyl-2-pentadecyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C36H58N6O4S MolecularWeight: 670.94852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58N6O4S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-28-31(47(44,45)42-26-24-40(3)25-27-42)23-22-30(46-5)32(28)35-37-33-29(20-7-2)39-41(4)34(33)36(43)38-35/h22-23H,6-21,24-27H2,1-5H3,(H,37,38,43)