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

Systemtic Name: 4-(4-methoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenoxy)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-methoxyphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCOC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H26N6O3/c1-25-20-18(14-24-25)21(23-15-22-20)27-11-9-26(10-12-27)19(28)4-3-13-30-17-7-5-16(29-2)6-8-17/h5-8,14-15H,3-4,9-13H2,1-2H3