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

Systemtic Name: 1-tert-butyl-5-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-propyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-oxopropyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[3-[4-(2-furoyl)piperazino]-3-keto-propyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H26N6O4/c1-21(2,3)27-18-15(13-23-27)19(29)26(14-22-18)7-6-17(28)24-8-10-25(11-9-24)20(30)16-5-4-12-31-16/h4-5,12-14H,6-11H2,1-3H3