1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-(4-phenoxyphenoxy)-2-propanol IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-phenoxyphenoxy)propan-2-ol Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-(4-phenoxyphenoxy)propan-2-ol Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(COC4=CC=C(C=C4)OC5=CC=CC=C5)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(COC4=CC=C(C=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C25H28N6O3/c1-29-24-23(15-28-29)25(27-18-26-24)31-13-11-30(12-14-31)16-19(32)17-33-20-7-9-22(10-8-20)34-21-5-3-2-4-6-21/h2-10,15,18-19,32H,11-14,16-17H2,1H3