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

Systemtic Name: 1-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)piperazino]-2-(phenylthio)ethanone Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)N(N=C2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)CSC4=CC=CC=C4)N(N=C2C)C

InChI

InChI=1S/C21H26N6OS/c1-4-17-22-19-15(2)24-25(3)20(19)21(23-17)27-12-10-26(11-13-27)18(28)14-29-16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3