5-methyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one

Systemtic Name: 5-methyl-7-(2-methylpropyl)-3-phenylazanyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-sulfanylidene-pyrazolo[3,4-d]pyrimidin-6-one Openeye Name: 3-anilino-7-isobutyl-2-[(1-isopropyl-4-piperidyl)methyl]-5-methyl-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one CAS Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[(1-propan-2-yl-4-piperidinyl)methyl]-4-sulfanylidene-6-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 3-anilino-5-methyl-7-(2-methylpropyl)-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-sulfanylidenepyrazolo[3,4-d]pyrimidin-6-one Traditional Name: 3-anilino-7-isobutyl-2-[(1-isopropyl-4-piperidyl)methyl]-5-methyl-4-thioxo-pyrazolo[3,4-d]pyrimidin-6-one Formula: C25H36N6OS MolecularWeight: 468.65794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4CCN(CC4)C(C)C

Isomeric SMILES

CC(C)CN1C2=NN(C(=C2C(=S)N(C1=O)C)NC3=CC=CC=C3)CC4CCN(CC4)C(C)C

InChI

InChI=1S/C25H36N6OS/c1-17(2)15-30-23-21(24(33)28(5)25(30)32)22(26-20-9-7-6-8-10-20)31(27-23)16-19-11-13-29(14-12-19)18(3)4/h6-10,17-19,26H,11-16H2,1-5H3