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

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopentyl-methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopentyl-methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-cyclopentylmethanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopentylmethanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopentyl-methanone Formula: C27H36N6O MolecularWeight: 460.61434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5CCCC5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5CCCC5

InChI

InChI=1S/C27H36N6O/c1-3-4-15-23-28-25(24-20(2)30-33(26(24)29-23)22-13-6-5-7-14-22)31-16-10-17-32(19-18-31)27(34)21-11-8-9-12-21/h5-7,13-14,21H,3-4,8-12,15-19H2,1-2H3