5-[3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-[4-(4-acetylphenyl)sulfonylpiperazino]-3-keto-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H24N6O5S MolecularWeight: 472.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C21H24N6O5S/c1-15(28)16-3-5-17(6-4-16)33(31,32)27-11-9-25(10-12-27)19(29)7-8-26-14-22-20-18(21(26)30)13-23-24(20)2/h3-6,13-14H,7-12H2,1-2H3