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

Systemtic Name: cyclopentyl-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Openeye Name: cyclopentyl-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone CAS Name: cyclopentyl-[4-(3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: cyclopentyl-[4-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Traditional Name: cyclopentyl-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone Formula: C24H30N6O MolecularWeight: 418.5346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N6O/c1-17-21-22(25-18(2)26-23(21)30(27-17)20-11-4-3-5-12-20)28-13-8-14-29(16-15-28)24(31)19-9-6-7-10-19/h3-5,11-12,19H,6-10,13-16H2,1-2H3