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

Systemtic Name: (4-butoxyphenyl)-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C31H38N6O2 MolecularWeight: 526.67242

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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=C(C=C5)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C31H38N6O2/c1-4-6-13-27-32-29(28-23(3)34-37(30(28)33-27)25-11-9-8-10-12-25)35-18-20-36(21-19-35)31(38)24-14-16-26(17-15-24)39-22-7-5-2/h8-12,14-17H,4-7,13,18-22H2,1-3H3