1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-(3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[4-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methyl-propan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H28N6O/c1-15(2)22(29)27-12-8-11-26(13-14-27)20-19-16(3)25-28(18-9-6-5-7-10-18)21(19)24-17(4)23-20/h5-7,9-10,15H,8,11-14H2,1-4H3