2-ethyl-1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-ethyl-hexan-1-one CAS Name: 2-ethyl-1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-(6-benzyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-ethyl-hexan-1-one Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1)C2=NC(=NC3=C2C(=NN3C4=CC=CC=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N6O/c1-4-6-15-25(5-2)31(38)36-20-18-35(19-21-36)29-28-23(3)34-37(26-16-11-8-12-17-26)30(28)33-27(32-29)22-24-13-9-7-10-14-24/h7-14,16-17,25H,4-6,15,18-22H2,1-3H3