(4-butoxyphenyl)-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[6-(1-methylbutyl)-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:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C(C)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)C(C)CCC

InChI

InChI=1S/C31H38N6O2/c1-4-6-21-39-26-15-13-24(14-16-26)31(38)36-19-17-35(18-20-36)29-27-22-32-37(25-11-8-7-9-12-25)30(27)34-28(33-29)23(3)10-5-2/h7-9,11-16,22-23H,4-6,10,17-21H2,1-3H3