4-(4-ethoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-ethoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-ethoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-ethoxyphenoxy)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-ethoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-ethoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C22H28N6O3/c1-3-30-17-6-8-18(9-7-17)31-14-4-5-20(29)27-10-12-28(13-11-27)22-19-15-25-26(2)21(19)23-16-24-22/h6-9,15-16H,3-5,10-14H2,1-2H3