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

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-phenyl-methanone Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6O/c1-3-4-15-23-28-25(24-20(2)30-33(26(24)29-23)22-13-9-6-10-14-22)31-16-18-32(19-17-31)27(34)21-11-7-5-8-12-21/h5-14H,3-4,15-19H2,1-2H3