furan-2-yl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: furan-2-yl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: 2-furyl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: 2-furanyl-[4-(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: furan-2-yl-[4-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 2-furyl-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H22N6O2/c1-16-24-20(18-15-23-28(21(18)25-16)17-7-3-2-4-8-17)26-10-6-11-27(13-12-26)22(29)19-9-5-14-30-19/h2-5,7-9,14-15H,6,10-13H2,1H3