5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-isopentyl-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-methylbutyl)-6-[1-(4-methyl-1-piperazinyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-methylbutyl)-6-[1-(4-methylpiperazin-1-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-isoamyl-6-[1-(4-methylpiperazino)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H30N6O MolecularWeight: 346.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(C=NN2)C(=O)N1CCC(C)C)N3CCN(CC3)C

Isomeric SMILES

CCC(C1=NC2=C(C=NN2)C(=O)N1CCC(C)C)N3CCN(CC3)C

InChI

InChI=1S/C18H30N6O/c1-5-15(23-10-8-22(4)9-11-23)17-20-16-14(12-19-21-16)18(25)24(17)7-6-13(2)3/h12-13,15H,5-11H2,1-4H3,(H,19,21)