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

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-cyclopropylmethanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone Formula: C25H32N6O MolecularWeight: 432.56118

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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)C5CC5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C25H32N6O/c1-3-4-11-21-26-23(29-14-8-15-30(17-16-29)25(32)19-12-13-19)22-18(2)28-31(24(22)27-21)20-9-6-5-7-10-20/h5-7,9-10,19H,3-4,8,11-17H2,1-2H3