1-[4-[3-methyl-6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[3-methyl-6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(3-methyl-1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[3-methyl-6-(4-oxanyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[3-methyl-6-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(3-methyl-1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-phenyl-butan-1-one Formula: C31H36N6O2 MolecularWeight: 524.65654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C(=NN4C5=CC=CC=C5)C)C6CCOCC6

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C(=NN4C5=CC=CC=C5)C)C6CCOCC6

InChI

InChI=1S/C31H36N6O2/c1-3-26(23-10-6-4-7-11-23)31(38)36-18-16-35(17-19-36)29-27-22(2)34-37(25-12-8-5-9-13-25)30(27)33-28(32-29)24-14-20-39-21-15-24/h4-13,24,26H,3,14-21H2,1-2H3