1-tert-butyl-5-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-5-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-propyl]-6-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]-6-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-6-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[3-[4-(2-furoyl)piperazino]-3-keto-propyl]-6-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)(C)C)C(=O)N1CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H28N6O4/c1-15-24-19-16(14-23-28(19)22(2,3)4)20(30)27(15)8-7-18(29)25-9-11-26(12-10-25)21(31)17-6-5-13-32-17/h5-6,13-14H,7-12H2,1-4H3