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

Systemtic Name: 1-(4-ethoxyphenoxy)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol Openeye Name: 1-(4-ethoxyphenoxy)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol CAS Name: 1-(4-ethoxyphenoxy)-3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-(4-ethoxyphenoxy)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol Traditional Name: 1-(4-ethoxyphenoxy)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propan-2-ol Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=NC=NC4=C3C=NN4C)O

InChI

InChI=1S/C21H28N6O3/c1-3-29-17-4-6-18(7-5-17)30-14-16(28)13-26-8-10-27(11-9-26)21-19-12-24-25(2)20(19)22-15-23-21/h4-7,12,15-16,28H,3,8-11,13-14H2,1-2H3