5-[2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-[4-(2-bromophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-[4-(2-bromophenyl)sulfonylpiperazino]-2-keto-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19BrN6O4S MolecularWeight: 495.35026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C18H19BrN6O4S/c1-22-17-13(10-21-22)18(27)24(12-20-17)11-16(26)23-6-8-25(9-7-23)30(28,29)15-5-3-2-4-14(15)19/h2-5,10,12H,6-9,11H2,1H3