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

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(hydroxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(hydroxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(hydroxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(hydroxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-3-methylol-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H26N6O5S MolecularWeight: 462.52264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)C(=NN4C)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)C(=NN4C)CO

InChI

InChI=1S/C20H26N6O5S/c1-4-31-16-6-5-13(32(29,30)26-9-7-24(2)8-10-26)11-14(16)19-21-17-15(12-27)23-25(3)18(17)20(28)22-19/h5-6,11,27H,4,7-10,12H2,1-3H3,(H,21,22,28)