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

Systemtic Name: [4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-(3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O/c1-18-22-23(26-19(2)27-24(22)31(28-18)21-12-7-4-8-13-21)29-14-9-15-30(17-16-29)25(32)20-10-5-3-6-11-20/h3-8,10-13H,9,14-17H2,1-2H3