2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C27H28N6O2S MolecularWeight: 500.61522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C6CC6

InChI

InChI=1S/C27H28N6O2S/c1-35-23-10-6-5-9-22(23)31-13-15-32(16-14-31)24(34)18-36-27-21-17-28-33(20-7-3-2-4-8-20)26(21)29-25(30-27)19-11-12-19/h2-10,17,19H,11-16,18H2,1H3