1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C28H32N6OS MolecularWeight: 500.65828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C28H32N6OS/c1-3-11-24-29-27(26-21(2)31-34(28(26)30-24)22-12-6-4-7-13-22)33-17-10-16-32(18-19-33)25(35)20-36-23-14-8-5-9-15-23/h4-9,12-15H,3,10-11,16-20H2,1-2H3