1-[4-(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(1,3-dimethyl-5-propan-2-yl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazino]-2-(phenylthio)ethanone Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2N3CCN(CC3)C(=O)CSC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C22H28N6OS/c1-15(2)21-23-19-16(3)25-26(4)20(19)22(24-21)28-12-10-27(11-13-28)18(29)14-30-17-8-6-5-7-9-17/h5-9,15H,10-14H2,1-4H3